SCHEMBL300172

SCHEMBL300172

COC(=O)c1c[c]cc(C(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA12 O43570 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
KDM4E B2RXH2 6/20 0.50
LMNA P02545 3/20 0.50
XDH P47989 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 2/20 0.50
POLB P06746 2/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
FUT7 Q11130 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.47

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
SCHEMBL21268393 0.92 TSHR (0.47) CA1CA2CA12CA7CA9
SCHEMBL21268288 0.90 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL3710369 0.87 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL4288854 0.87 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL4282584 0.87 ATM (0.52) CA1CA2CA12CA7CA9
SCHEMBL7521582 0.86 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL4282817 0.86 NOTUM (0.49) CA1CA2CA12CA7CA9
SCHEMBL16958208 0.86 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL6197366 0.86 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL5847286 0.86 GAA (0.44) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087305-B Beta-fluoroalkyl cinnamate compound and preparation method thereof 南京工业大学 2021-08-27 CN claimed
CN-111087305-A β -fluoroalkyl cinnamate compound and preparation method thereof 南京工业大学 2020-05-01 CN claimed
CN-105601472-A Preparation method of novel 5-[4-(1-carboxyl naphthyl)]-isophthalic acid UNIV ZUNYI MEDICAL 2016-05-25 CN claimed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP claimed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US claimed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US claimed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP claimed
JP-4673977-B2 2011-04-20 JP claimed
US-7928222-B2 Porphyrin compound, process for producing porphyrin compound, three-dimensional optical recording material, and three-dimensional optical recording medium National University Corporation NARA Institute of Science and Technology (JP) 2011-04-19 US claimed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO claimed
US-20050176711-A1 Phthalazine derivatives for treating inflammatory diseases BOLD GUIDO (CH) 2005-08-11 US claimed
US-6911440-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2005-06-28 US claimed
US-20040142934-A1 Phthalazine derivatives for treating inflammatory diseases BOLD GUIDO (CH) 2004-07-22 US claimed
US-6686347-B2 RHEUMATIC DISEASES; ANALGESICS; ENZYME INHIBITORS NOVARTIS AG (CH) 2004-02-03 US claimed
EP-1315695-A2 BENZENE TRICARBOXYLIC ACID AMIDES AS INSULIN RECEPTOR ACTIVATORS Telik, Inc. (US) 2003-06-04 EP claimed
US-20030013718-A1 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2003-01-16 US claimed
US-20020103183-A1 Benzene tricarboxylic acid derivatives as insulin receptor activators TELIK, INC. 2002-08-01 US claimed
WO-2002020464-A2 BENZENE TRICARBOXYLIC ACID AMIDES AS INSULIN RECEPTOR ACTIVATORS TELIK, INC. (US) 2002-03-14 WO claimed
EP-1165085-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES Novartis AG (CH) 2002-01-02 EP claimed
WO-2000059509-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2000-10-12 WO 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 (5 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-20030013718-A1 Phthalazine derivatives for treating inflammatory diseases FLT1, KDR, FFAR2 CA1 3290/4885CA2 1557/4885CA12 3747/4885
US-20020103183-A1 Benzene tricarboxylic acid derivatives as insulin receptor activators GPR119, INSR, IRS1 CA1 2295/4885CA2 584/4885CA12 3198/4885
US-20040142934-A1 Phthalazine derivatives for treating inflammatory diseases KDR, FLT1, TIE1 CA1 4436/4885CA2 2982/4885CA12 4020/4885
US-20050176711-A1 Phthalazine derivatives for treating inflammatory diseases FLT1, FLT4, KDR CA1 2621/4885CA2 1438/4885CA12 3255/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A CA1 4495/4885CA2 1994/4885CA12 4607/4885

“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.