SCHEMBL3603222

SCHEMBL3603222

CC(=O)Oc1cc(C)cc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 5/20 0.42
LMNA P02545 4/20 0.42
PGR P06401 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ELANE P08246 1/20 0.40
HPGD P15428 3/20 0.39
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ESR1 P03372 2/20 0.39
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL3596310 0.97 ALDH1A1 (0.45) GBA1ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL28702513 0.82 CFD (0.43) GBA1ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL30994403 0.80 NCEH1 (0.41) KDM4EACHE
SCHEMBL16715040 0.76 PGR (0.49) GBA1ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL17596594 0.75 RXRA (0.50) GBA1ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL5833456 0.73 RXRA (0.49) ALDH1A1KDM4EHSD17B10LMNAPGR
SCHEMBL5900986 0.73 MEN1 (0.40) GBA1ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL3594157 0.72 KMT2A (0.51) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL13021618 0.72 ELANE (0.50) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL7206062 0.71 RXRA (0.50) ALDH1A1KDM4EHSD17B10LMNAHPGD

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
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
US-20010012901-A1 Sulphonyl compounds for use as linkers in solid phase and combinatorial synthesis FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2001-08-09 US disclosed
US-6225480-B1 FOR SYNTHESIS OF ORGANIC COMPOUNDS CONTAINING--NH--GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US 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 (5 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 GBA1 1961/4885ALDH1A1 1463/4885KMT2A 1061/4885
US-20010012901-A1 Sulphonyl compounds for use as linkers in solid phase and combinatorial synthesis H1-0, H1-2, ASH2L GBA1 2368/4885ALDH1A1 894/4885KMT2A 173/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GBA1 1961/4885ALDH1A1 1463/4885KMT2A 1061/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GBA1 1961/4885ALDH1A1 1463/4885KMT2A 1061/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GBA1 1961/4885ALDH1A1 1463/4885KMT2A 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.