SCHEMBL3612844

SCHEMBL3612844

Cc1cc(C)cc(SCC(=O)c2ccc(C(C)C)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 5/20 0.56
HPGD P15428 4/20 0.56
KDM4E B2RXH2 4/20 0.56
MPI P34949 1/20 0.56
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
STAT6 P42226 1/20 0.50
USP5 P45974 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
HTT P42858 1/20 0.45
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL13006685 0.79 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1HPGDKDM4E
SCHEMBL3602669 0.73 USP5 (0.47) RAB9AKDM4ELMNACYP1A2CYP3A4
SCHEMBL5641031 0.72 MEN1 (0.59) ALDH1A1RAB9ANPC1HPGDKDM4E
SCHEMBL28787119 0.72 CNR1 (0.55) ALDH1A1HPGDLMNACYP2D6CYP2C9
SCHEMBL23949910 0.71 USP5 (0.53) ALDH1A1RAB9ANPC1HPGDKDM4E
SCHEMBL30089581 0.70 USP5 (0.85) ALDH1A1RAB9ANPC1HPGDKDM4E
SCHEMBL269939 0.70 USP5 (0.66) ALDH1A1RAB9ANPC1HPGDKDM4E
SCHEMBL6826443 0.70 KMT2A (0.63) ALDH1A1RAB9ANPC1HPGDLMNA
SCHEMBL11436720 0.70 ALDH1A1 (0.54) ALDH1A1RAB9ANPC1HPGDKDM4E
SCHEMBL9787103 0.70 KMT2A (0.63) ALDH1A1RAB9ANPC1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP 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 (4 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 ALDH1A1 1463/4885RAB9A 631/4885NPC1 1481/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885RAB9A 631/4885NPC1 1481/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885RAB9A 631/4885NPC1 1481/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885RAB9A 631/4885NPC1 1481/4885

“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.