SCHEMBL3752885

SCHEMBL3752885

CCOC(=O)C=Cc1cccc(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.69
CA7 P43166 3/20 0.69
CA9 Q16790 3/20 0.69
CA14 Q9ULX7 3/20 0.69
CA1 P00915 2/20 0.69
CA2 P00918 1/20 0.69
TTR P02766 1/20 0.68
DPP4 P27487 1/20 0.68
AKR1B10 O60218 2/20 0.63
AKR1B1 P15121 2/20 0.63
MAOB P27338 1/20 0.61
CYP3A4 P08684 1/20 0.60
HSD17B1 P14061 1/20 0.55
HSD17B2 P37059 1/20 0.55
CA4 P22748 2/20 0.55
CA6 P23280 2/20 0.55
CA5A P35218 2/20 0.55
CA5B Q9Y2D0 2/20 0.55
FDPS P14324 1/20 0.55
MMP1 P03956 3/20 0.54

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
SCHEMBL2389918 1.00 CA12 (0.69) CA12CA7CA9CA14CA1
SCHEMBL4427602 0.92 TTR (0.69) CA12CA7CA9CA14CA1
SCHEMBL4427604 0.92 TTR (0.69) CA12CA7CA9CA14CA1
SCHEMBL1269501 0.87 TTR (0.63) CA12CA7CA9CA14CA1
SCHEMBL1269502 0.87 TTR (0.63) CA12CA7CA9CA14CA1
SCHEMBL27934208 0.86 TTR (0.61) CA12CA7CA9CA14CA1
SCHEMBL27792939 0.86 KDM4E (0.64) CA12CA7CA9CA14CA1
SCHEMBL1578506 0.86 KDM4E (0.64) CA12CA7CA9CA14CA1
SCHEMBL1578505 0.86 KDM4E (0.64) CA12CA7CA9CA14CA1
SCHEMBL1579811 0.86 TTR (0.61) CA12CA7CA9CA14CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905249-A A kind of preparation method of azepine class compound 长沙深橙生物科技有限公司 2017-06-30 CN claimed
CN-106905249-A A kind of preparation method of azepine class compound 长沙深橙生物科技有限公司 2017-06-30 CN disclosed
CN-1829442-B Safeners based on aromatic-aliphatic carboxylic acid derivatives BAYER CROPSCIENCE GMBH 2011-05-04 CN disclosed
CN-102028690-A Application of ligustrazine cinnamic acid phenolic ether derivatives in preparing medicines UNIV SHANDONG 2011-04-27 CN disclosed
US-7838463-B2 Safeners based on acrylic-aliphatic carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-11-23 US disclosed
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
CN-1829442-A Safeners based on aromatic-aliphatic carboxylic acid derivatives BAYER CROPSCIENCE GMBH (DE) 2006-09-06 CN disclosed
US-20050049145-A1 Safeners based on acrylic-aliphatic carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2005-03-03 US disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
WO-1994001414-A1 URACIL DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-20 WO disclosed
US-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed
US-5034395-A Hypotensive agents, carboxylated dihydropyridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
US-4845016-A SHORT DEVELOPMENT TIME, FREE OF BENZYL ALCOHOL FUJI PHOTO FILM CO., LTD. (JP) 1989-07-04 US disclosed
US-4795814-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTTS, ENZYME INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-01-03 US disclosed
EP-0173126-A1 Process for preparing novel dihydropyridine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed
EP-0145434-A2 Novel dihydropyridine derivatives and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed
US-4456682-A PHOTOSENSITIVITY, PYRAZOLIDONE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1984-06-26 US disclosed
US-4409324-A HIGH BOILING SOLVENT, OIL SOLUBLE PYRAZOLIDONE COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1983-10-11 US disclosed
US-4383027-A 1-PHENYL-3-ANILINO-4-PHENYLTHIO-5-PYRAZOLONE, 1-PHENYL-3-PYRAZOLIDONE FUJI PHOTO FILM CO., LTD. (JP) 1983-05-10 US 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 (1 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-20050049145-A1 Safeners based on acrylic-aliphatic carboxylic acid derivatives GRHPR, HCAR1, HCAR3 CA12 2611/4885CA7 1335/4885CA9 2176/4885

“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.