SCHEMBL3593777

SCHEMBL3593777

Cc1cc2c(c3c1C(c1ccc(C(C)C)cc1)CO3)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.33
SLC5A1 P13866 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
CES1 P23141 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL3601085 0.97 MAPT (0.35) MAPTTP53SMN1; SMN2HPGDSLC5A1
SCHEMBL3600236 0.80 MAPT (0.38) MAPTTP53SMN1; SMN2HPGDCRHBP
SCHEMBL3604752 0.79 HPGD (0.32) MAPTTP53SMN1; SMN2HPGD
SCHEMBL3587186 0.79 HPGD (0.32) MAPTTP53SMN1; SMN2HPGD
SCHEMBL3602915 0.78 RECQL (0.40) MAPTTP53SMN1; SMN2HPGDCRHBP
SCHEMBL3602329 0.77 HPGD (0.32) MAPTTP53SMN1; SMN2HPGD
SCHEMBL3591650 0.77 HPGD (0.32) MAPTTP53SMN1; SMN2HPGD
SCHEMBL3607319 0.75 MAPT (0.35) MAPTTP53SMN1; SMN2CRHBPCRHR2
SCHEMBL3602115 0.72 ALDH1A1 (0.42) MAPTTP53SMN1; SMN2HPGDCRHBP
SCHEMBL3595271 0.72 HPGD (0.34) MAPTTP53SMN1; SMN2HPGD

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 MAPT 4392/4885TP53 4621/4885SMN1; SMN2 4180/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885TP53 4621/4885SMN1; SMN2 4180/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885TP53 4621/4885SMN1; SMN2 4180/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885TP53 4621/4885SMN1; SMN2 4180/4885

“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.