SCHEMBL43095

SCHEMBL43095

CC(=O)c1ccc2cc(N(C)CC(=O)O)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
MAPT P10636 3/20 0.43
APP P05067 1/20 0.43
SNCA P37840 1/20 0.43
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.38
PLAU P00749 1/20 0.38
ESRRG P62508 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28431544 0.85 MAPT (0.47) CYP2A6MAPTAPPSNCAHPGD
SCHEMBL17936545 0.84 CYP2A6 (0.41) CYP2A6MAPTAPPSNCAHPGD
SCHEMBL15428925 0.84 CYP2A6 (0.41) CYP2A6MAPTAPPSNCAHPGD
SCHEMBL4322658 0.83 MAPT (0.49) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL28758819 0.82 UTS2R (0.46) HPGDALDH1A1CA12CA1CA2
SCHEMBL16682553 0.81 MAPT (0.39) CYP2A6MAPTAPPSNCAHPGD
SCHEMBL4976553 0.81 MAPT (0.49) CYP2A6MAPTAPPSNCAHPGD
SCHEMBL34895 0.80 MAPT (0.53) CYP2A6MAPTAPPHPGDALDH1A1
SCHEMBL30898565 0.80 MAPT (0.53) CYP2A6MAPTAPPHPGDALDH1A1
SCHEMBL1177340 0.79 CYP2A6 (0.47) CYP2A6MAPTHPGDALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130236922-A1 COPPER(I)-ION SELECTIVE FLUORESCENT PROBE, METHOD FOR PREPARING THE SAME, METHOD FOR DIAGNOSING MALIGNANT DISEASE AND DIAGNOSIS KIT USING THE PROBE KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2013-09-12 US claimed
WO-2016114722-A1 ALPHA-CELL SELECTIVE PROBE FOR EX-VIVO TWO PHOTON IMAGING OF ALPHA CELLS IN INTACT PANCREATIC ISLETS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-07-21 WO disclosed
US-20160022642-A1 Compounds Useful for Promoting Protein Degradation and Methods Using Same YALE UNIVERSITY 2016-01-28 US disclosed
US-20160022642-A1 Compounds Useful for Promoting Protein Degradation and Methods Using Same YALE UNIVERSITY 2016-01-28 US disclosed
US-20160022642-A1 Compounds Useful for Promoting Protein Degradation and Methods Using Same YALE UNIVERSITY 2016-01-28 US disclosed
US-20150119435-A1 COMPOUNDS USEFUL FOR PROMOTING PROTEIN DEGRADATION AND METHODS USING SAME YALE UNIVERSITY 2015-04-30 US disclosed
US-20150119435-A1 COMPOUNDS USEFUL FOR PROMOTING PROTEIN DEGRADATION AND METHODS USING SAME YALE UNIVERSITY 2015-04-30 US disclosed
US-20150119435-A1 COMPOUNDS USEFUL FOR PROMOTING PROTEIN DEGRADATION AND METHODS USING SAME YALE UNIVERSITY 2015-04-30 US disclosed
EP-2846784-A1 COMPOUNDS USEFUL FOR PROMOTING PROTEIN DEGRADATION AND METHODS USING SAME Yale University (US) 2015-03-18 EP disclosed
EP-2075245-B1 Two-photon probe for real-time monitoring of intracellular calcium ions, method for preparing the probe and method for real-time monitoring of intracellular calcium ions using the probe UNIV KOREA IND & ACAD COOP (KR) 2014-12-31 EP disclosed
US-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SFC CO., LTD. (KR) 2009-11-19 US disclosed
EP-2075245-A2 Two-photon probe for real-time monitoring of intracellular calcium ions, method for preparing the probe and method for real-time monitoring of intracellular calcium ions using the probe Korea University Industry and Academy Cooperation Foundation (KR) 2009-07-01 EP disclosed
EP-2075245-A2 Two-photon probe for real-time monitoring of intracellular calcium ions, method for preparing the probe and method for real-time monitoring of intracellular calcium ions using the probe Korea University Industry and Academy Cooperation Foundation (KR) 2009-07-01 EP disclosed
US-20090155837-A1 Two-photon fluorescent probes for acidic vesicles in live cells and tissue and method of imaging acidic vesicles in live cells and tissue using the same SFC CO., LTD. (KR) 2009-06-18 US disclosed
US-7511167-B2 Two-photon dyes for real-time imaging of lipid rafts Korea University Industry and Academy Cooperation Foundation (KR) 2009-03-31 US disclosed
US-7511167-B2 Two-photon dyes for real-time imaging of lipid rafts Korea University Industry and Academy Cooperation Foundation (KR) 2009-03-31 US disclosed
US-20080293088-A1 Two-photon probe for real-time monitoring of intracellular magnesium ions, method for preparing the two-photon probe and method for real-time monitoring of intracellular magnesium ions using the two-photon probe SFC CO., LTD. (KR) 2008-11-27 US disclosed
US-20080293088-A1 Two-photon probe for real-time monitoring of intracellular magnesium ions, method for preparing the two-photon probe and method for real-time monitoring of intracellular magnesium ions using the two-photon probe SFC CO., LTD. (KR) 2008-11-27 US disclosed
US-20080071106-A1 Two-photon dyes for real-time imaging of lipid rafts Korea University Industry and Academy Cooperation Foundation (KR) 2008-03-20 US disclosed
US-20080071106-A1 Two-photon dyes for real-time imaging of lipid rafts Korea University Industry and Academy Cooperation Foundation (KR) 2008-03-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150119435-A1 COMPOUNDS USEFUL FOR PROMOTING PROTEIN DEGRADATION AND METHODS USING SAME PSMG3, ERAP1, SMURF2 CYP2A6 3077/4885MAPT 2291/4885APP 188/4885
US-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SLC39A3, SLC30A7, SLC39A7 CYP2A6 1869/4885MAPT 3270/4885APP 939/4885
US-20090155837-A1 Two-photon fluorescent probes for acidic vesicles in live cells and tissue and method of imaging acidic vesicles in live cells and tissue using the same LAMP2, ANXA2, CHMP4B CYP2A6 4749/4885MAPT 1989/4885APP 2554/4885
US-20160022642-A1 Compounds Useful for Promoting Protein Degradation and Methods Using Same AR, SHBG, PSMG3 CYP2A6 1329/4885MAPT 2379/4885APP 334/4885
US-20080293088-A1 Two-photon probe for real-time monitoring of intracellular magnesium ions, method for preparing the two-photon probe and method for real-time monitoring of intracellular magnesium ions using the two-photon probe HRH3, CA2, HRH2 CYP2A6 2136/4885MAPT 3833/4885APP 2722/4885
US-20130236922-A1 COPPER(I)-ION SELECTIVE FLUORESCENT PROBE, METHOD FOR PREPARING THE SAME, METHOD FOR DIAGNOSING MALIGNANT DISEASE AND DIAGNOSIS KIT USING THE PROBE SLC30A6, SLC30A7, SLC39A7 CYP2A6 3130/4885MAPT 3163/4885APP 2167/4885
US-20080071106-A1 Two-photon dyes for real-time imaging of lipid rafts LAMP2, FLOT1, NPC1L1 CYP2A6 3781/4885MAPT 2674/4885APP 1772/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.