SCHEMBL1124970

SCHEMBL1124970

Cc1ccc(C)c(CC=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
AMY1A P0DUB6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SRC P12931 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL1759263 0.83 AMY1A (0.53) POLBALDH1A1HTTGAAHPGD
SCHEMBL2561411 0.83 SRC (0.42) TAAR1ALDH1A1HTTNPC1RAB9A
SCHEMBL31176234 0.83 SRC (0.42) TAAR1ALDH1A1HTTNPC1RAB9A
SCHEMBL10225859 0.81 SRC (0.41) TAAR1POLBALDH1A1KDM4EHPGD
SCHEMBL22355712 0.80 TAAR1 (0.52) TAAR1POLBALDH1A1HTTNPC1
SCHEMBL10053223 0.79 FFAR4 (0.37) TAAR1ALDH1A1NPC1RAB9AGAA
SCHEMBL17926271 0.79 CYP3A4 (0.40) ALDH1A1HTTGAAKDM4EHPGD
SCHEMBL4429449 0.79 TAAR1 (0.38) TAAR1ALDH1A1HTTRAB9ASRC
SCHEMBL98215 0.79 TAAR1 (0.57) TAAR1POLBALDH1A1HTTNPC1
SCHEMBL16011566 0.79 FFAR4 (0.36) POLBALDH1A1HTTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
WO-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-9663627-B2 Amine functionalized porous network KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2017-05-30 US disclosed
US-20150148439-A1 AMINE FUNCTIONALIZED POROUS NETWORK KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2015-05-28 US disclosed
WO-2014138616-A2 PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) 2014-09-12 WO disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
EP-1277734-B1 2- and 2,5-substituted phenylketo-enols BAYER CROPSCIENCE AG (DE) 2007-02-07 EP disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
US-20060094764-A1 Cyanothiophenes, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-04 US disclosed
US-20050234090-A1 Modulators of chemokine receptor activity PFIZER INC 2005-10-20 US disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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 (3 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-20060094764-A1 Cyanothiophenes, their preparation and their use in pharmaceutical compositions GLRB, GPR6, GRM3 TAAR1 189/4885POLB 4077/4885ALDH1A1 3592/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 TAAR1 817/4885POLB 3299/4885ALDH1A1 1202/4885
US-20050234090-A1 Modulators of chemokine receptor activity CCR3, CCR2, CCR1 TAAR1 252/4885POLB 1758/4885ALDH1A1 1982/4885

“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.