SCHEMBL4032384

SCHEMBL4032384

CCCc1ccccc1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PPARD Q03181 1/20 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
SCHEMBL11589528 0.90 PTGS2 (0.55) PTGS2PPARGPPARATHRATHRB
SCHEMBL1788428 0.89 PPARG (0.62) PTGS2PPARGPPARATHRATHRB
SCHEMBL3873794 0.88 PPARA (0.69) PTGS2PPARGPPARATHRATHRB
SCHEMBL7065312 0.87 THRA (0.53) PPARGPPARATHRATHRBPPARD
SCHEMBL729676 0.87 THRA (0.53) PPARGPPARATHRATHRBPPARD
SCHEMBL29581614 0.87 THRA (0.53) PPARGPPARATHRATHRBPPARD
SCHEMBL16065424 0.87 PPARG (0.59) PTGS2PPARGPPARATHRATHRB
SCHEMBL30850062 0.86 PTGS2 (0.55) PTGS2PPARGPPARAKDM4EALDH1A1
SCHEMBL68677 0.86 PTGS2 (0.55) PTGS2PPARGPPARAKDM4EALDH1A1
SCHEMBL7637671 0.86 PPARA (0.72) PTGS2PPARGPPARATHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102660393-B Cleaning solution for light-emitting diode (LED) chip CHANGSHU AOSHOU PHOTOELECTRIC MATERIALS CO LTD 2013-07-24 CN claimed
CN-102660393-A Cleaning solution for light-emitting diode (LED) chip CHANGSHU AOSHOU PHOTOELECTRIC MATERIALS CO LTD 2012-09-12 CN claimed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
EP-4034520-A1 LIGHT INDUCED CATALYTIC C-H OXYGENATION OF ALKANES Ariel Scientific Innovations Ltd. (IL) 2022-08-03 EP disclosed
WO-2021059287-A1 LIGHT INDUCED CATALYTIC C-H OXYGENATION OF ALKANES Ariel Scientific Innovations Ltd. (IL) 2021-04-01 WO disclosed
US-9622993-B2 Thiosemicarbazones inhibitors of lysophosphatidic acid acyltransferase and uses thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-18 US disclosed
US-9622993-B2 Thiosemicarbazones inhibitors of lysophosphatidic acid acyltransferase and uses thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-18 US disclosed
US-20170027893-A1 THIOSEMICARBAZONES INHIBITORS OF LYSOPHOSPHATIDIC ACID ACYLTRANSFERASE AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-02-02 US disclosed
US-20170027893-A1 THIOSEMICARBAZONES INHIBITORS OF LYSOPHOSPHATIDIC ACID ACYLTRANSFERASE AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-02-02 US disclosed
WO-2015157242-A1 THIOSEMICARBAZONES INHIBITORS OF LYSOPHOSPHATIDIC ACID ACYLTRANSFERASE AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-10-15 WO disclosed
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP disclosed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP disclosed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
US-5684162-A BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1997-11-04 US disclosed
EP-0787116-A1 PROCESS FOR SEPARATING ENANTIOMERS FROM A RACEMIC MIXTURE Akzo Nobel N.V. (NL) 1997-08-06 EP disclosed
WO-1996011894-A1 PROCESS FOR SEPARATING ENANTIOMERS FROM A RACEMIC MIXTURE AKZO NOBEL N.V. (NL) 1996-04-25 WO disclosed
EP-0136195-A1 Microbicidal benzamidine derivatives, their preparation and their use in pharmaceutical compositions as disinfection or preservation agents SANOFI (FR) 1985-04-03 EP disclosed
EP-0021636-A1 Secondary amines, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-01-07 EP disclosed
US-4234733-A PHENOL, ALIPHATIC ESTER OR ETHER, CARBON MONOXIDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1980-11-18 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-20170027893-A1 THIOSEMICARBAZONES INHIBITORS OF LYSOPHOSPHATIDIC ACID ACYLTRANSFERASE AND USES THEREOF BRAF, PLAAT3, PLAAT2 PTGS2 2190/4885PPARG 1504/4885PPARA 1345/4885

“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.