SCHEMBL259779

SCHEMBL259779

COc1cccc2cc(C(C)C(=O)O)ccc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.59
AKR1C3 P42330 15/20 0.57
AKR1C2 P52895 15/20 0.57
PTGS2 P35354 3/20 0.57
PTGS1 P23219 3/20 0.57
CDC42 P60953 1/20 0.57
RAC1 P63000 1/20 0.57
CYP1A2 P05177 1/20 0.57
TSHR P16473 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL13038659 1.00 AKR1B1 (0.59) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL9254412 0.88 AKR1C3 (0.57) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11737441 0.88 AKR1C3 (0.57) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11738055 0.85 AKR1B1 (0.56) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11470668 0.84 AKR1B1 (0.57) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL27513099 0.84 AKR1C3 (0.50) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11818544 0.83 KDM4E (0.54) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11743878 0.81 AKR1C3 (0.68) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL487736 0.81 HDAC4 (0.54) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11741134 0.80 AKR1B1 (0.64) AKR1B1AKR1C3AKR1C2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131052-A1 Amelioration Of The Development Of Cataracts And Other Ophthalmic Diseases MATIER WILLIAM L (US) 2013-05-23 US disclosed
US-8383648-B2 Applying such as 1-oxyl-4-(3'-ethoxy-2',2'-dimethyl)propanecarbonyloxy-2,2,6,6-tetramethylpiperidine to eye surface; halting growth, preventing surgery COLBY PHARMACEUTICAL COMPANY (US) 2013-02-26 US disclosed
US-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 US disclosed
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US disclosed
US-7825134-B2 Amelioration of cataracts, macular degeneration and other ophthalmic diseases OTHERA HOLDING, INC. (US) 2010-11-02 US disclosed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-7498445-B2 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2009-03-03 US disclosed
WO-2005055926-A2 AMELIORATION OF CATARACTS, MACULAR DEGENERATION AND OTHER OPHTHALMIC DISEASES OTHERA PHARMACEUTICALS, INC. (US) 2005-06-23 WO disclosed
US-20050131025-A1 Amelioration of cataracts, macular degeneration and other ophthalmic diseases COLBY PHARMACEUTICAL COMPANY 2005-06-16 US disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed
EP-0035305-A2 Process for preparing esters of 2-(6'-methoxy-2'-naphtyl)-propionic acid via rearrangement of new ketals of 2-halo-1-(6'-methoxy-2'-naphtyl)-propan-1-one BLASCHIM S.p.A. (IT) 1981-09-09 EP disclosed
EP-0034270-A1 Combinations of agents which give enhanced anti-inflammatory activity AMERICAN CYANAMID COMPANY (US) 1981-08-26 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-20130131052-A1 Amelioration Of The Development Of Cataracts And Other Ophthalmic Diseases C3AR1, C1R, AKR1C3 AKR1B1 46/4885AKR1C3 3/4885AKR1C2 29/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR AKR1B1 1109/4885AKR1C3 2513/4885AKR1C2 1473/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR AKR1B1 1109/4885AKR1C3 2513/4885AKR1C2 1473/4885
US-20050131025-A1 Amelioration of cataracts, macular degeneration and other ophthalmic diseases C1R, CRYAB, C9 AKR1B1 103/4885AKR1C3 11/4885AKR1C2 100/4885

“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.