SCHEMBL3597347

SCHEMBL3597347

CC(=O)Oc1c(C)cc(OCC(=O)c2ccc(C(C)C)cc2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.40
BCHE P06276 6/20 0.39
ACHE P22303 6/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ROCK2 O75116 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
ROCK1 Q13464 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP3 Q9Y6F1 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
SCHEMBL4819106 0.83 HTT (0.60) HTTMAPTKDM4ETP53GAA
Acetomenaphthone SCHEMBL29411342 0.76 HTT (1.00) HTTMAPTKDM4ETP53GAA
Acetomenaphthone SCHEMBL209382 0.76 HTT (1.00) HTTMAPTKDM4ETP53GAA
SCHEMBL3606437 0.75 TP53 (0.45) TP53GAAL3MBTL1BCHEACHE
SCHEMBL11734972 0.74 HTT (0.69) HTTMAPTKDM4ETP53GAA
SCHEMBL17129273 0.72 L3MBTL1 (0.52) MAPTGAAL3MBTL1LMNAMAPK1
SCHEMBL3601091 0.70 MAPT (0.48) HTTMAPTGAAL3MBTL1BCHE
SCHEMBL11645814 0.69 PTPN7 (0.56) HTTMAPTKDM4ELMNA
SCHEMBL3602669 0.68 USP5 (0.47) MAPTKDM4EGAAL3MBTL1LMNA
SCHEMBL3597080 0.67 MAPT (1.00) HTTMAPTKDM4ETP53GAA

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 HTT 4582/4885MAPT 4392/4885KDM4E 737/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTT 4582/4885MAPT 4392/4885KDM4E 737/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTT 4582/4885MAPT 4392/4885KDM4E 737/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTT 4582/4885MAPT 4392/4885KDM4E 737/4885

“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.