SCHEMBL3604919

SCHEMBL3604919

COc1cc(C)c(Br)c(C)c1Cc1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 2/20 0.43
SLC5A1 P13866 1/20 0.43
CASR P41180 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
IDO1 P14902 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
ERN1 O75460 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL3594629 0.84 SLC5A1 (0.42) SLC5A2SLC5A1L3MBTL1ALDH1A1IDO1
SCHEMBL3594565 0.81 BCHE (0.43) L3MBTL1GAABCHEACHETHRA
SCHEMBL3594435 0.79 SLC5A1 (0.42) SLC5A2SLC5A1L3MBTL1ALDH1A1IDO1
SCHEMBL1539282 0.77 SLC5A2 (0.54) SLC5A2SLC5A1CASR
SCHEMBL3605468 0.76 HIF1A (0.39) SLC5A2SLC5A1L3MBTL1ALDH1A1GAA
SCHEMBL3595161 0.74 PTGS1 (0.40) SLC5A2SLC5A1IDO1THRATHRB
SCHEMBL3598345 0.73 L3MBTL1 (0.43) SLC5A2SLC5A1L3MBTL1ALDH1A1BCHE
SCHEMBL19019516 0.73 CA2 (0.50) L3MBTL1ALDH1A1POLBGAACA2
SCHEMBL1539208 0.69 SLC5A2 (0.50) SLC5A2SLC5A1CASR
SCHEMBL17084604 0.68 POLB (0.42) CASRPOLBGAAGFER

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 SLC5A2 2887/4885SLC5A1 2023/4885CASR 451/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885CASR 451/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885CASR 451/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885CASR 451/4885

“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.