SCHEMBL3596870

SCHEMBL3596870

Cc1ccc2c(-c3ccc(C(C)C)cc3)c(C)oc2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.37
GAA P10253 2/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
CSNK2A1 P68400 2/20 0.35
PON1 P27169 1/20 0.34
NQO1 P15559 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
NOTUM Q6P988 2/20 0.33
PTGS1 P23219 2/20 0.33
TRPA1 O75762 1/20 0.33
CACNA1C Q13936 1/20 0.33
BCL2 P10415 1/20 0.32

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
SCHEMBL3596105 0.77 LMNA (0.36) MCL1GAATNKSPARP1TNKS2
SCHEMBL4046157 0.70 BCL2 (0.41) MCL1GAATNKSPARP1TNKS2
SCHEMBL12852133 0.70 BCL2 (0.47) MCL1GAATNKSPARP1TNKS2
SCHEMBL3945392 0.70 KDM4E (0.34) MCL1GAATNKSPARP1TNKS2
Hydrochloric Acid SCHEMBL3594989 0.69 KDM4E (0.33) MCL1TNKSPARP1TNKS2HDAC6
SCHEMBL11976504 0.67 MCL1 (0.55) MCL1CSNK2A2CSNK2BCSNK2A1PON1
SCHEMBL5992503 0.65 KDM4E (0.60) GAALMNAMAPTKDM4EPOLB
SCHEMBL5990665 0.62 ALDH1A1 (0.49) GAAMAPTKDM4EPOLBPKM
SCHEMBL28682175 0.62 HDAC6 (0.47) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL9875515 0.62 LMNA (0.64) NPC1RAB9ALMNANOTUMPTGS1

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 MCL1 2467/4885GAA 4694/4885TNKS 2767/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MCL1 2467/4885GAA 4694/4885TNKS 2767/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MCL1 2467/4885GAA 4694/4885TNKS 2767/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MCL1 2467/4885GAA 4694/4885TNKS 2767/4885

“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.