SCHEMBL269185

SCHEMBL269185

CCCCCCCCCOc1ccc(N=Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR5A1 Q13285 1/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL28279963 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL4541633 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL12416639 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL12416687 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL11425348 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL11769988 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL3082828 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL12416623 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL12416641 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL12416671 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180052111-A1 SUBSTRATES, DEVICES, AND METHODS FOR QUANTITATIVE LIQUID CRYSTAL ASSAYS PLATYPUS TECHNOLOGIES, LLC 2018-02-22 US disclosed
US-9816147-B2 Liquid crystal based analyte detection PLATYPUS TECHNOLOGIES, LLC (US) 2017-11-14 US disclosed
US-9816147-B2 Liquid crystal based analyte detection PLATYPUS TECHNOLOGIES, LLC (US) 2017-11-14 US disclosed
US-9797843-B2 Substrates, devices, and methods for quantitative liquid crystal assays PLATYPUS TECHNOLOGIES, LLC (US) 2017-10-24 US disclosed
US-9797843-B2 Substrates, devices, and methods for quantitative liquid crystal assays PLATYPUS TECHNOLOGIES, LLC (US) 2017-10-24 US disclosed
US-20170212088-A1 DETECTION OF GAS-PHASE ANALYTES USING LIQUID CRYSTALS PLATYPUS TECHNOLOGIES, LLC 2017-07-27 US disclosed
US-20170212088-A1 DETECTION OF GAS-PHASE ANALYTES USING LIQUID CRYSTALS PLATYPUS TECHNOLOGIES, LLC 2017-07-27 US disclosed
US-9575037-B2 Detection of gas-phase analytes using liquid crystals PLATYPUS TECHNOLOGIES, LLC (US) 2017-02-21 US disclosed
US-9575037-B2 Detection of gas-phase analytes using liquid crystals PLATYPUS TECHNOLOGIES, LLC (US) 2017-02-21 US disclosed
US-20160274084-A1 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL PLATYPUS TECHNOLOGIES, LLC 2016-09-22 US disclosed
US-20100009344-A1 LIQUID CRYSTAL BASED ANALYTE DETECTION PLATYPUS TECHNOLOGIES, LLC (US) 2010-01-14 US disclosed
WO-2009085083-A1 PHASE COMPENSATION FILM COMPRISING POLYMER NANOPARTICLES IMBIBED WITH LIQUID CRYSTAL MATERIAL DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO disclosed
WO-2009085082-A1 SMALL SCALE FUNCTIONAL MATERIALS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO disclosed
US-7531366-B2 Bead based assays using a liquid crystal reporter PLATYPUS TECHNOLOGIES, LLC (US) 2009-05-12 US disclosed
US-20080268546-A1 DETECTION OF DNA HYBRIDIZATION ON SURFACES WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-10-30 US disclosed
US-20080160539-A1 Substrates, devices, and methods for cellular assays PLATYPUS TECHNOLOGIES, LLC (US) 2008-07-03 US disclosed
US-20070178534-A1 Using liquid crystal support comprising chemotactic and chemokinetic agents to monitor cell migration and invasion; diagnosing cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-02 US disclosed
US-20070099249-A1 Compositions and liquid crystals PLATYPUS TECHNOLOGIES, LLC (US) 2007-05-03 US disclosed
US-20070042505-A1 Liquid crystal based analyte detection PLATYPUS TECHNOLOGIES, LLC (US) 2007-02-22 US disclosed
US-20070004046-A1 Detection of analytes PLATYPUS TECHNOLOGIES, LLC (US) 2007-01-04 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 (1 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-20070099249-A1 Compositions and liquid crystals FABP5, FABP1, SSB ALDH1A1 4540/4885KDM4E 4656/4885HPGD 4568/4885

“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.