SCHEMBL3594565

SCHEMBL3594565

CC(=O)COc1cc(C)c(Br)c(C)c1Cc1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.43
ACHE P22303 9/20 0.43
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 4/20 0.36
THRA P10827 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3598090 0.83 BCHE (0.45) BCHEACHETHRBTHRAL3MBTL1
SCHEMBL3604919 0.81 SLC5A2 (0.43) BCHEACHEGAATHRBTHRA
SCHEMBL3606437 0.74 TP53 (0.45) BCHEACHETP53NPC1GAA
SCHEMBL3601655 0.73 THRB (0.51) BCHEACHETHRBTHRA
SCHEMBL19002719 0.72 BCHE (0.55) BCHEACHENPC1GAARAB9A
SCHEMBL3600323 0.71 BCHE (0.43) BCHEACHETP53NPC1RAB9A
SCHEMBL3604274 0.71 BCHE (0.42) BCHEACHETP53L3MBTL1
SCHEMBL27639120 0.71 ADRB3 (0.46) BCHEACHENPC1RAB9ATHRB
SCHEMBL3595161 0.70 PTGS1 (0.40) NPC1RAB9ATHRBTHRA
SCHEMBL3590188 0.70 BCHE (0.42) BCHEACHETP53NPC1RAB9A

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 BCHE 2613/4885ACHE 2032/4885TP53 4621/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BCHE 2613/4885ACHE 2032/4885TP53 4621/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BCHE 2613/4885ACHE 2032/4885TP53 4621/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BCHE 2613/4885ACHE 2032/4885TP53 4621/4885

“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.