SCHEMBL3607741

SCHEMBL3607741

Cc1cc2occ(-c3ccc(C(C)C)cc3)c2c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
MAPT P10636 7/20 0.40
SIRT1 Q96EB6 1/20 0.39
GSK3B P49841 1/20 0.38
LMNA P02545 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
TP53 P04637 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
ATM Q13315 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL3597298 0.82 HPGD (0.42) THRBMAPTSIRT1GSK3BLMNA
SCHEMBL10686545 0.68 LMNA (0.52) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL3602644 0.67 MAPT (0.36) THRBMAPTLMNATP53MEN1
SCHEMBL3604071 0.67 MAPT (0.36) THRBMAPTLMNATP53MEN1
SCHEMBL30896438 0.65 ACVR1 (0.44) GSK3BNOTUMHDAC6
SCHEMBL27194997 0.65 ACVR1 (0.44) GSK3BNOTUMHDAC6
SCHEMBL9875515 0.65 LMNA (0.64) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL10564431 0.64 ALOX12 (0.72) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL7269240 0.64 MIF (0.57) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL22185375 0.62 PIN1 (0.59) MAPTGSK3BSMN1; SMN2NPC1RAB9A

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 THRB 779/4885MAPT 4392/4885SIRT1 599/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885MAPT 4392/4885SIRT1 599/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885MAPT 4392/4885SIRT1 599/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885MAPT 4392/4885SIRT1 599/4885

“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.