SCHEMBL3393707

SCHEMBL3393707

O=C1c2ccccc2C(=O)N1C1CC2CC1CC2O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CHRM2 P08172 1/20 0.38
OPRM1 P35372 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
SMO Q99835 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL29674118 1.00 ALDH1A1 (0.38) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL24439068 1.00 ALDH1A1 (0.38) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL29674209 1.00 ALDH1A1 (0.38) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL24439064 1.00 ALDH1A1 (0.38) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL19533902 0.83 ALDH1A1 (0.43) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL7537535 0.83 ALDH1A1 (0.43) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL8884810 0.77 ALDH1A1 (0.39) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL4561370 0.77 ALDH1A1 (0.39) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL20103023 0.76 ALDH1A1 (0.38) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL3839504 0.75 SLC18A3 (0.44) ALDH1A1CHRM2OPRM1DDB1CRBN

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001946-B1 QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56lck TYROSINE KINASES AVENTIS PHARMA INC (US) 2010-12-29 EP disclosed
EP-1687642-B1 Screening methods for combinations of biological compounds CENTELION (FR) 2009-01-14 EP disclosed
US-20070197538-A1 Anti-vascular and anti-proliferation methods, therapies, and combinations employing specific tyrosine kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-08-23 US disclosed
EP-1687642-A2 ANTI-VASCULAR AND ANTI-PROLIFERATION METHODS, THERAPIES, AND COMBINATIONS EMPLOYING SPECIFIC TYROSINE KINASE INHIBITORS CENTELION (FR) 2006-08-09 EP disclosed
WO-2005038465-A2 ANTI-VASCULAR AND ANTI-PROLIFERATION METHODS, THERAPIES, AND COMBINATIONS EMPLOYING SPECIFIC TYROSINE KINASE INHIBITORS CENTELION (FR) 2005-04-28 WO disclosed
US-6482834-B2 ANTIPROLIFERATION AGENTS; ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2002-11-19 US disclosed
US-20010023250-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-09-20 US disclosed
EP-1133481-A1 QUINOLINE AND QUINOXALINE COMPOUNDS AS PDGF-R AND/OR LCK TYROSINE KINASE INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-09-19 EP disclosed
US-6245760-B1 ANTICANCER AGENTS; ANTIINFLAMMATORYA GENTS; SKIN DISORDERS AVENTIS PHARMACEUTICALS PRODUCTS, INC 2001-06-12 US disclosed
WO-2000031049-A1 QUINOLINE AND QUINOXALINE COMPOUNDS AS PDGF-R AND/OR LCK TYROSINE KINASE INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-02 WO 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 (2 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-20070197538-A1 Anti-vascular and anti-proliferation methods, therapies, and combinations employing specific tyrosine kinase inhibitors MCL1, ABL1, TIE1 ALDH1A1 3361/4885CHRM2 4021/4885OPRM1 2658/4885
US-20010023250-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases LCK, LTK, PTK6 ALDH1A1 4598/4885CHRM2 2898/4885OPRM1 4134/4885

“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.