SCHEMBL97370

SCHEMBL97370

COc1ccccc1O[C]=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA12 O43570 2/20 0.62
CA14 Q9ULX7 2/20 0.62
CA4 P22748 1/20 0.62
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.42
ENPP2 Q13822 1/20 0.41

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
SCHEMBL6571065 0.87 CA1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL7840651 0.80 IDO1 (0.53) CA1CA2CA7CA9CA12
SCHEMBL2094872 0.80 SMN1; SMN2 (0.45) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL27809980 0.80 CA1 (0.68) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL21247641 0.80 CA1 (0.68) CA1CA2CA7CA9CA12
SCHEMBL2094349 0.79 SMN1; SMN2 (0.48) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL5308636 0.79 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL29351917 0.79 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL105872 0.79 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL28125143 0.76 CA1 (0.81) CA1CA2CA7CA9CA12

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 555 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531810-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP claimed
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US claimed
EP-1531810-A4 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2008-05-28 EP claimed
US-20050119312-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T (US) 2005-06-02 US claimed
EP-1531810-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-25 EP claimed
US-6875782-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-05 US claimed
US-20040063762-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
WO-2004004655-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO claimed
US-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 US claimed
WO-2003024451-A1 2-(2-PHENYLETHYL)-BENZIMIDAZOLE-5-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-03-27 WO claimed
EP-0925063-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2000-12-27 EP claimed
EP-1019378-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 2000-07-19 EP claimed
EP-0925063-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-06-30 EP claimed
WO-1998000403-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO claimed
WO-1998000137-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO claimed
US-5393878-A Pyrimidine nucleosides having cyclopentafuran skeleton CIBA-GEIGY CORPORATION (US) 1995-02-28 US claimed
US-5319080-A Antiviral agents CIBA-GEIGY CORPORATION (US) 1994-06-07 US claimed
US-4323567-A BACTERICIDES NARISADA MASAYUKI 1982-04-06 US claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed
US-4138486-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1979-02-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040063762-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method GLP1R, ZYX, SLC5A2 CA1 3172/4885CA2 887/4885CA7 885/4885
US-20050119312-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method NPY4R, XDH, GPR119 CA1 3336/4885CA2 1265/4885CA7 1106/4885
US-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine TPSAB1, PRSS3, TPSD1 CA1 2071/4885CA2 888/4885CA7 2090/4885

“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.