SCHEMBL3594435

SCHEMBL3594435

COc1cc(C)cc(C)c1Cc1ccc(C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 2/20 0.38
CNR2 P34972 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ERN1 O75460 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 2/20 0.36
BCHE P06276 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
SCHEMBL27639101 0.82 CFD (0.40) ALDH1A1ACHEBCHE
SCHEMBL3601655 0.80 THRB (0.51) ALDH1A1ACHEBCHE
SCHEMBL27639102 0.80 BCHE (0.37) SLC5A1SLC5A2ACHEBCHE
SCHEMBL3598090 0.80 BCHE (0.45) L3MBTL1ALDH1A1ACHEBCHE
SCHEMBL3604919 0.79 SLC5A2 (0.43) SLC5A1SLC5A2L3MBTL1IDO1ALDH1A1
SCHEMBL3594629 0.78 SLC5A1 (0.42) SLC5A1SLC5A2L3MBTL1IDO1ALDH1A1
SCHEMBL3597203 0.78 PTGS1 (0.44) IDO1ALDH1A1
SCHEMBL3600323 0.78 BCHE (0.43) L3MBTL1ACHEBCHE
SCHEMBL3593921 0.78 PPARA (0.45)
SCHEMBL27902001 0.78 KEAP1 (0.39) ALDH1A1ACHEBCHE

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 SLC5A1 2023/4885SLC5A2 2887/4885L3MBTL1 3559/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A1 2023/4885SLC5A2 2887/4885L3MBTL1 3559/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A1 2023/4885SLC5A2 2887/4885L3MBTL1 3559/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A1 2023/4885SLC5A2 2887/4885L3MBTL1 3559/4885

“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.