SCHEMBL3592483

SCHEMBL3592483

CC(C)c1ccc(C2c3ccccc3OC2(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
MAOB P27338 1/20 0.36
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
STING1 Q86WV6 2/20 0.34
MAPT P10636 5/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
HTR2B P41595 1/20 0.31
ADCY2 Q08462 1/20 0.31
THRB P10828 1/20 0.30
MEN1 O00255 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
SCHEMBL4970447 0.84 HTR2B (0.38) KCNE1KCNQ1HTR2B
SCHEMBL4972270 0.82 KCNE1 (0.38) ABCB1MAOBKCNE1KCNQ1MAPT
SCHEMBL3603597 0.81 MAPT (0.33) ABCB1STING1MAPTTP53SMN1; SMN2
SCHEMBL4038458 0.80 LMNA (0.34) MAPTTP53SMN1; SMN2HPGDALDH1A1
SCHEMBL3596490 0.80 MAPT (0.37) ABCB1STING1MAPTTP53SMN1; SMN2
SCHEMBL3592061 0.80 HTR2B (0.33) ABCB1STING1MAPTTP53SMN1; SMN2
SCHEMBL4043216 0.80 ESR1 (0.34) ABCB1STING1MAPTTP53SMN1; SMN2
SCHEMBL3599011 0.76 ABCB1 (0.41) ABCB1MAOBMAPTTP53SMN1; SMN2
SCHEMBL3605116 0.69 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL3598445 0.69 HPGD (0.31) MAPTHPGD

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 ABCB1 705/4885MAOB 610/4885KCNE1 636/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ABCB1 705/4885MAOB 610/4885KCNE1 636/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ABCB1 705/4885MAOB 610/4885KCNE1 636/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ABCB1 705/4885MAOB 610/4885KCNE1 636/4885

“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.