SCHEMBL1174380

SCHEMBL1174380

COC(=O)c1cc(O)cc(C(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.76
CA1 P00915 7/20 0.76
CA2 P00918 7/20 0.76
CA7 P43166 7/20 0.76
CA9 Q16790 7/20 0.76
CA14 Q9ULX7 7/20 0.76
HCAR1 Q9BXC0 3/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
XDH P47989 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
NFKB1 P19838 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FUT7 Q11130 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 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
SCHEMBL31455886 1.00 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL17274803 1.00 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL46504 0.91 CA12 (0.91) CA12CA1CA2CA7CA9
SCHEMBL9121827 0.91 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL7234945 0.91 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL8413910 0.90 CA12 (0.68) CA12CA1CA2CA7CA9
Methyl Alcohol SCHEMBL28269742 0.89 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL10932231 0.87 CA12 (0.63) CA12CA1CA2CA7CA9
Methyl 3,5-Dihydroxybenzoate SCHEMBL38869 0.87 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL2624952 0.83 CA12 (0.76) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109485573-B Aromatic dicarboxylic acid ionic liquid and preparation method and application thereof 宝鸡文理学院 2021-04-30 CN disclosed
US-20170143706-A1 SELECTIVE KINASE INHIBITORS GOLUB CAPITAL LLC, AS COLLATERAL AGENT 2017-05-25 US disclosed
US-8410151-B2 Aminomethyl benzene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2013-04-02 US disclosed
EP-2262782-B1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-04 EP disclosed
WO-2012019428-A1 BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed
CN-102083884-A Copolyester for shrink film applications INVISTA TECH SARL 2011-06-01 CN disclosed
US-20110028449-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-03 US disclosed
EP-2262782-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
EP-1528063-B1 COMPOUND HAVING PHOSPHORYLCHOLINE GROUP, POLYMER THEREOF, AND PROCESS FOR PRODUCING THE SAME UNIV TOKAI (JP) 2010-09-29 EP disclosed
WO-2009109904-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
US-20060041160-A1 Compound having phosphorylcholine group, polymer thereof and process for producing the same TOKAI UNIVERSITY (JP) 2006-02-23 US disclosed
EP-1528063-A1 COMPOUND HAVING PHOSPHORYLCHOLINE GROUP, POLYMER THEREOF, AND PROCESS FOR PRODUCING THE SAME Tokai University (JP) 2005-05-04 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-0707572-A1 IODINATED OLIGOMERIC COMPOUNDS AND DIAGNOSTIC COMPOSITIONS CONTAINING THE SAME BRACCO S.p.A. (IT) 1996-04-24 EP disclosed
WO-1995013270-A1 NOVEL TAXICINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1995-05-18 WO disclosed
WO-1995001966-A1 IODINATED OLIGOMERIC COMPOUNDS AND DIAGNOSTIC COMPOSITIONS CONTAINING THE SAME BRACCO S.P.A. (IT) 1995-01-19 WO disclosed
EP-0538416-A4 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1994-05-18 EP disclosed
US-5298652-A N-substituted glycines, inhibitors of phospholipase A2 HOFFMANN-LA ROCHE INC. (US) 1994-03-29 US disclosed
EP-0538416-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-04-28 EP disclosed
WO-1992004315-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-03-19 WO 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 (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-20060041160-A1 Compound having phosphorylcholine group, polymer thereof and process for producing the same PHOSPHO1, SGMS2, PCYT1A CA12 326/4885CA1 2088/4885CA2 1078/4885
US-20110028449-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES CD47, BRD4, BRD3 CA12 4463/4885CA1 4716/4885CA2 4137/4885
US-20170143706-A1 SELECTIVE KINASE INHIBITORS JAK3, JAK1, JAK2 CA12 4343/4885CA1 4006/4885CA2 2730/4885

“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.