SCHEMBL7924637

SCHEMBL7924637

Cc1ccc(C(=O)O)c(Cl)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CLCN2 P51788 3/20 0.44
MCL1 Q07820 4/20 0.43
TTR P02766 2/20 0.42
MEN1 O00255 2/20 0.42
AKR1B10 O60218 2/20 0.42
ABCB11 O95342 2/20 0.42
CHRM1 P11229 2/20 0.42
NR4A1 P22736 2/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
KMT2A Q03164 2/20 0.42
AKR1C1 Q04828 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
FABP2 P12104 1/20 0.42
RXRA P19793 1/20 0.42
TBXA2R P21731 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL17612257 0.85 ALDH1A1 (0.40) TSHRCLCN2MCL1TTRMEN1
SCHEMBL109811 0.84 CLCN2 (0.49) TSHRCLCN2MCL1TTRMEN1
SCHEMBL28873539 0.83 ALOX15 (0.34) CLCN2MCL1TTRMEN1AKR1B10
SCHEMBL16019011 0.83 SMN1; SMN2 (0.35) CLCN2TTRMEN1AKR1B10ABCB11
SCHEMBL29814908 0.83 CLCN2 (0.47) TSHRCLCN2MCL1TTRMEN1
SCHEMBL108571 0.83 TSHR (0.52) TSHRCLCN2TTRMEN1AKR1B10
SCHEMBL1834641 0.83 CLCN2 (0.47) TSHRCLCN2MCL1TTRMEN1
SCHEMBL10407716 0.81 CLCN2 (0.44) TSHRCLCN2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4556197 0.81 KDM4E (0.53) TSHRCLCN2MCL1TTRMEN1
SCHEMBL2977547 0.81 TSHR (0.45) TSHRCLCN2MCL1TTRMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112912410-B Chloroprene-unsaturated nitrile copolymer, chloroprene-unsaturated nitrile copolymer composition, and vulcanized molded article 电化株式会社 2023-09-01 CN disclosed
US-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 US disclosed
US-9238657-B2 Cephalosporin having catechol group SHIONOGI & CO., LTD. (JP) 2016-01-19 US disclosed
US-9145425-B2 Cephem compound having catechol group SHIONOGI & CO., LTD. (JP) 2015-09-29 US disclosed
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-04-25 US disclosed
US-20110190254-A1 CEPHALOSPORIN HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2011-08-04 US disclosed
WO-2001083420-A2 METHOD OF MAKING SUBSTITUTED DIHALO AROMATIC ACID CHLORIDES OCCIDENTAL CHEMICAL CORPORATION (US) 2001-11-08 WO disclosed
US-6225514-B1 A MIXTURE OF AN AROMATIC HYDROCARBON, ESTER, NITRILE OR HALOGENATED AROMATIC, A HALOGENATING AGENT AND A STABLE ACID,AND CORROSION RESISTANT, HETEROGENEOUS, SOLID ACID CATALYST OF ?DOPED? MIXED OXIDES; BY-PRODUCT INHIBITION OCCIDENTAL CHEMICAL CORPORATION 2001-05-01 US disclosed
US-6124512-A HETEROGENEOUS CATALYST. OCCIDENTAL CHEMICAL CORPORATION (US) 2000-09-26 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 (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-20110190254-A1 CEPHALOSPORIN HAVING CATECHOL GROUP NRDC, LUC7L2, NR0B1 TSHR 2183/4885CLCN2 519/4885MCL1 2785/4885
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP COMT, EZH1, SETD7 TSHR 4191/4885CLCN2 297/4885MCL1 3298/4885
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP COMT, CEP170, SLC6A3 TSHR 4287/4885CLCN2 356/4885MCL1 2429/4885

“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.