SCHEMBL1716550

SCHEMBL1716550

Cc1ccc(CC(C)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.53
PPARG P37231 2/20 0.49
PPARA Q07869 2/20 0.49
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
LMNA P02545 2/20 0.48
CYP2C9 P11712 2/20 0.48
AKR1C3 P42330 2/20 0.48
CXCR1 P25024 2/20 0.48
CXCR2 P25025 2/20 0.48
ALB P02768 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX5 P09917 1/20 0.48
RARB P10826 1/20 0.48
ADRB3 P13945 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2A P28223 1/20 0.48
NR1I3 Q14994 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
CXCL8 P10145 1/20 0.48

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
SCHEMBL12696346 1.00 TBXAS1 (0.53) TBXAS1PPARGPPARAPTGS1PTGS2
SCHEMBL10081972 1.00 TBXAS1 (0.53) TBXAS1PPARGPPARAPTGS1PTGS2
SCHEMBL11237591 0.91 TBXAS1 (0.59) TBXAS1PTGS1PTGS2LMNACYP2C9
SCHEMBL11615201 0.85 ACACB (0.47) PPARGPPARAPTGS1PTGS2LMNA
SCHEMBL19553694 0.85 PTGS1 (0.66) TBXAS1PTGS1PTGS2LMNACYP2C9
SCHEMBL22184250 0.85 MME (0.46) TBXAS1PPARGPPARAPTGS1PTGS2
SCHEMBL15147780 0.85 MME (0.46) TBXAS1PPARGPPARAPTGS1PTGS2
SCHEMBL14499001 0.83 ACACB (0.50) PPARGPPARAPTGS1PTGS2LMNA
SCHEMBL284670 0.83 SLC7A5 (0.60) TBXAS1PTGS1PTGS2LMNACYP2C9
SCHEMBL11996333 0.83 TBXAS1 (0.53) TBXAS1PPARGPPARAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103724244-B Thiourea is as the application of solid nitration reagent XI'AN JIAOTONG UNIVERSITY (CN) 2015-08-26 CN claimed
CN-103724244-A Application of thiourea nitrate as solid nitration reagent UNIV XI AN JIAOTONG 2014-04-16 CN claimed
CN-102146049-A Synthetic method of thiourea nitrate and application of thiourea nitrate as solid nitration reagent UNIV XIAN JIAOTONG 2011-08-10 CN claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-0428276-B1 Acaricidal composition TAKASAGO PERFUMERY CO LTD (JP) 1998-09-16 EP claimed
US-20230147021-A1 POLYSULFIDE STABILIZATION UNIVERSITY PUBLIC CORPORATION OSAKA (JP) 2023-05-11 US disclosed
WO-2022121844-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-16 WO disclosed
CN-109456324-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-04-22 CN disclosed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2021-06-08 US disclosed
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-08-20 US disclosed
US-10689364-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-06-23 US disclosed
WO-2007070041-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-06-21 WO disclosed
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS, INC. 2007-06-14 US disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 US disclosed
EP-1337532-B1 COMPOUND FOR CHELATING A METAL, RADIOPHARMACEUTICAL, MANUFACTURING PROCESS THEREFOR, AND DIAGNOSTIC KIT SCHERING AG (DE) 2005-05-11 EP disclosed
US-20040043920-A1 Compound for chelating a metal, radiopharmaceutical, manufacturing process therefor, and diagnostic kit SCHERING AG (DE) 2004-03-04 US disclosed
EP-0292889-B1 BENZALDEHYDE DERIVATIVES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1992-09-02 EP disclosed
EP-0292889-A2 Benzaldehyde derivatives, their preparation and use BASF Aktiengesellschaft (DE) 1988-11-30 EP 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 (6 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-20040043920-A1 Compound for chelating a metal, radiopharmaceutical, manufacturing process therefor, and diagnostic kit MC5R, SLC30A5, SENP5 TBXAS1 4336/4885PPARG 4562/4885PPARA 4599/4885
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization AP2M1, AP1M1, CPNE4 TBXAS1 3732/4885PPARG 1347/4885PPARA 1595/4885
US-20230147021-A1 POLYSULFIDE STABILIZATION YWHAZ, YWHAH, PTPN21 TBXAS1 3223/4885PPARG 4696/4885PPARA 4796/4885
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, RECQL, CASP7 TBXAS1 729/4885PPARG 2316/4885PPARA 3184/4885
US-10689364-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, CASP7, CASP3 TBXAS1 766/4885PPARG 2343/4885PPARA 3180/4885
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, RECQL, CASP7 TBXAS1 729/4885PPARG 2316/4885PPARA 3184/4885

“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.