SCHEMBL3601050

SCHEMBL3601050

COc1cccc(C2COc3c(C)c(C)cc(C)c32)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.49
BRD4 O60885 2/20 0.44
GID4 Q8IVV7 1/20 0.43
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HTR2C P28335 3/20 0.40
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3605267 0.82 CYP19A1 (0.47) CYP19A1BRD4GID4DDB1CRBN
SCHEMBL3604918 0.81 HTR2A (0.38) CYP19A1HTR2CHTR2AHTR2BMAPT
SCHEMBL3596213 0.76 CYP19A1 (0.40) CYP19A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL3604568 0.74 CYP19A1 (0.43) CYP19A1BRD4MAPT
SCHEMBL3594690 0.74 CHRM2 (0.36) CYP19A1BRD4MAPT
SCHEMBL3601448 0.73 CYP19A1 (0.34) CYP19A1BRD4HTR2CHTR2AHTR2B
SCHEMBL3589875 0.72 MAPT (0.36) CYP19A1MAPT
SCHEMBL3596158 0.71 BRD4 (0.41) CYP19A1BRD4DDB1CRBNHTR2C
SCHEMBL3594174 0.71 RAB9A (0.31)
SCHEMBL3599168 0.70 CYP2A6 (0.33) CYP19A1BRD4

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 CYP19A1 243/4885BRD4 63/4885GID4 1542/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885BRD4 63/4885GID4 1542/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885BRD4 63/4885GID4 1542/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885BRD4 63/4885GID4 1542/4885

“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.