SCHEMBL3596310

SCHEMBL3596310

CC(=O)Oc1cc(C)cc2c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ELANE P08246 1/20 0.40
GBA1 P04062 1/20 0.40
PGR P06401 2/20 0.39
HTT P42858 3/20 0.38
MAPK1 P28482 2/20 0.38
ACHE P22303 1/20 0.38
NLRP3 Q96P20 3/20 0.38
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3603222 0.97 GBA1 (0.43) ALDH1A1HSD17B10KMT2AKDM4ELMNA
SCHEMBL30994403 0.83 NCEH1 (0.41) KDM4EACHENLRP3
SCHEMBL28702513 0.79 CFD (0.43) ALDH1A1HSD17B10KMT2AKDM4ELMNA
SCHEMBL7206062 0.75 RXRA (0.50) ALDH1A1HSD17B10KDM4ELMNAMAPK1
SCHEMBL3600359 0.72 MEN1 (0.47) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL16715040 0.72 PGR (0.49) ALDH1A1HSD17B10KMT2AKDM4ELMNA
SCHEMBL30936614 0.72 MEN1 (0.47) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL13021618 0.72 ELANE (0.50) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL17596594 0.71 RXRA (0.50) ALDH1A1HSD17B10KMT2AKDM4ELMNA
SCHEMBL31229876 0.71 MAPT (0.49) ALDH1A1HSD17B10KDM4ELMNAMAPT

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 10 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
CN-1816536-B Cannabinoid receptor modulators TAKAEDA CHEMICAL IND LTD 2012-12-26 CN 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
CN-1816536-A Cannabinoid receptor modulators TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-08-09 CN 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 ALDH1A1 1463/4885HSD17B10 727/4885KMT2A 1061/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885HSD17B10 727/4885KMT2A 1061/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885HSD17B10 727/4885KMT2A 1061/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885HSD17B10 727/4885KMT2A 1061/4885

“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.