SCHEMBL3609211

SCHEMBL3609211

Cc1c2c(c3ccccc3c1O)OCC2c1ccc(C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
NQO1 P15559 1/20 0.34
CRHBP P24387 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CRHR2 Q13324 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CYP19A1 P11511 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3595244 0.88 MAPT (0.32) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL3604999 0.85 CYP19A1 (0.31) MAPTCYP19A1TP53SMN1; SMN2TNKS
SCHEMBL3598349 0.81 HTT (0.38) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL3590358 0.78 SMN1; SMN2 (0.37) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL3607319 0.78 MAPT (0.35) CRHBPCRHR2MAPTKDM4EALDH1A1
SCHEMBL3591576 0.77 TAAR1 (0.31) KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3598864 0.76 TP53 (0.33) MAPTTP53SMN1; SMN2HPGD
SCHEMBL3600938 0.76 TP53 (0.33) MAPTTP53SMN1; SMN2HPGD
SCHEMBL3602661 0.76 TP53 (0.33) MAPTTP53SMN1; SMN2HPGD
SCHEMBL3606818 0.76 HPGD (0.36) MAPTKDM4EMEN1ALDH1A1KMT2A

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 CYP2C9 184/4885NQO1 948/4885CRHBP 1100/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP2C9 184/4885NQO1 948/4885CRHBP 1100/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP2C9 184/4885NQO1 948/4885CRHBP 1100/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP2C9 184/4885NQO1 948/4885CRHBP 1100/4885

“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.