SCHEMBL3597608

SCHEMBL3597608

CCCc1coc2c(Cc3ccc(C(C)C)cc3)c(C)cc(C)c12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX5 P09917 5/20 0.34
SLC5A2 P31639 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 6/20 0.32
PPARA Q07869 6/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC5A1 P13866 1/20 0.31
TSHR P16473 1/20 0.30
POLB P06746 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
SCHEMBL3599910 0.90 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10SLC5A2
SCHEMBL3601020 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10SLC5A2
SCHEMBL3597294 0.82 KDM4E (0.34) KDM4EALDH1A1HPGDSLC5A2LMNA
SCHEMBL3604344 0.68 KDM4E (0.36) KDM4EALDH1A1HPGDLMNASLC5A1
SCHEMBL597719 0.63 IDO1 (0.50) ALDH1A1
SCHEMBL3595161 0.62 PTGS1 (0.40) SLC5A2SLC5A1
SCHEMBL18931958 0.62 LMNA (0.50) ALDH1A1MAPTPPARGPPARALMNA
SCHEMBL3602070 0.62 SLC5A2 (0.32) SLC5A2SLC5A1
SCHEMBL3597203 0.62 PTGS1 (0.44) ALDH1A1LMNA
SCHEMBL3602219 0.62 SLC5A2 (0.42) SLC5A2SLC5A1

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 KDM4E 737/4885ALDH1A1 1463/4885HPGD 1416/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885ALDH1A1 1463/4885HPGD 1416/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885ALDH1A1 1463/4885HPGD 1416/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885ALDH1A1 1463/4885HPGD 1416/4885

“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.