SCHEMBL3605082

SCHEMBL3605082

Cc1c(Br)c(C)c2c(-c3ccc(CC(C)C)cc3)coc2c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
HIPK1 Q86Z02 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
HIPK3 Q9H422 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DUSP3 P51452 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL3595060 0.86 MAPT (0.38) EDNRBEDNRAESR1ESR2ALDH1A1
SCHEMBL8636154 0.64 MEN1 (0.53) ESR1ALDH1A1MAPTPOLBMEN1
SCHEMBL5773283 0.64 THRB (0.53) ESR1ESR2ALDH1A1MAPTMEN1
SCHEMBL23696953 0.63 MEN1 (0.46) ESR1ALDH1A1MAPTPOLBMEN1
SCHEMBL25014403 0.63 MEN1 (0.46) ESR1ALDH1A1MAPTPOLBMEN1
SCHEMBL1131597 0.61 PTGS1 (0.56) ESR1ALDH1A1MAPTPOLBMEN1
SCHEMBL27361342 0.61 PPARG (0.50) EDNRBEDNRAS1PR1MAPTPOLB
SCHEMBL17963054 0.61 POLB (0.41) ESR1MAPTPOLBMEN1KMT2A
SCHEMBL15706795 0.61 MEN1 (0.47) ESR1MAPTPOLBMEN1KMT2A
SCHEMBL18725045 0.61 MEN1 (0.47) ESR1ALDH1A1MAPTPOLBMEN1

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 EDNRB 329/4885EDNRA 463/4885CLK1 3897/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 EDNRB 329/4885EDNRA 463/4885CLK1 3897/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 EDNRB 329/4885EDNRA 463/4885CLK1 3897/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 EDNRB 329/4885EDNRA 463/4885CLK1 3897/4885

“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.