SCHEMBL3601020

SCHEMBL3601020

Cc1cc(C)c2c(C)coc2c1Cc1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.37
POLB P06746 2/20 0.37
ALDH2 P05091 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
IDO1 P14902 2/20 0.33
SLC5A1 P13866 2/20 0.32
SLC5A2 P31639 2/20 0.32
MAPT P10636 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
SCHEMBL3597294 0.89 KDM4E (0.34) KDM4EALDH1A1HPGDLMNAHTR1D
SCHEMBL3599910 0.87 ALDH1A1 (0.36) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL3597608 0.84 KDM4E (0.36) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL3604344 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDLMNAHTR1D
SCHEMBL3600065 0.69 MAOB (0.38) KDM4EALDH1A1HPGDLMNAPOLB
SCHEMBL3595161 0.68 PTGS1 (0.40) HTR1DHTR1BIDO1SLC5A1SLC5A2
SCHEMBL3597203 0.67 PTGS1 (0.44) ALDH1A1LMNAHTR1DHTR1BIDO1
SCHEMBL3602219 0.67 SLC5A2 (0.42) HTR1DHTR1BSLC5A1SLC5A2
SCHEMBL3956146 0.66 IDO1 (0.56) ALDH1A1HTR1DHTR1BIDO1SMN1; SMN2
SCHEMBL3601357 0.65 SLC5A2 (0.33) HTR1DHTR1BSLC5A1SLC5A2

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.