SCHEMBL1394337

SCHEMBL1394337

CC(C)Cc1ccccc1CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
PTGER1 P34995 3/20 0.46
PTGER4 P35408 3/20 0.46
PTGER3 P43115 3/20 0.46
PTGER2 P43116 3/20 0.46
FFAR1 O14842 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
CPA3 P15088 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC15A1 P46059 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
SCHEMBL10203389 0.89 HDAC3 (0.52) GABRA1GABRB2PTGER1PTGER4PTGER3
SCHEMBL10203390 0.86 MAPT (0.54)
SCHEMBL8083913 0.85 ALDH1A1 (0.51) GABRA1GABRB2ALDH1A1
SCHEMBL13544025 0.84 KEAP1 (0.44) KEAP1PTGER1PTGER4PTGER3PTGER2
Bicarbonate SCHEMBL27568192 0.84 GABRA1 (0.58) GABRA1GABRB2
SCHEMBL59198 0.84 KEAP1 (0.65) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL27566829 0.84 GABRA1 (0.46) GABRA1GABRB2FFAR4ALDH1A1
Hydrogen Peroxide SCHEMBL5685702 0.82 GABRA1 (0.65) GABRA1GABRB2
SCHEMBL3808149 0.81 AKR1B1 (0.55) GABRA1GABRB2KDM4E
SCHEMBL3136623 0.81 MTNR1A (0.45) GABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620854-A Chemically modified N-vinyl pyrrolidone, modification method thereof and polymer 仲恺农业工程学院 2021-11-09 CN claimed
US-20180311186-A1 PHARMACEUTICAL FORMULATION FOR BEDWETTING AND METHOD OF USE THEREOF WELLESLEY PHARMACEUTICALS, LLC 2018-11-01 US claimed
US-20180296676-A1 PHARMACEUTICAL FORMULATION FOR REDUCING BLADDER SPASMS AND METHOD OF USE THEREOF WELLESLEY PHARMACEUTICALS, LLC 2018-10-18 US claimed
CN-106540052-A A kind of Western medicine combination for treating flu and preparation method thereof 郑州郑先医药科技有限公司 2017-03-29 CN claimed
EP-1898930-A2 TREATMENT OF INFLAMMATORY CONDITIONS Dynamis Therapeutics, Inc. (US) 2008-03-19 EP claimed
US-20070066571-A1 Novel bisphosphonates having anti-inflammatory and/or pain-killing properties STOCKEL RICHARD F 2007-03-22 US claimed
WO-2006138609-A2 TREATMENT OF INFLAMMATORY CONDITIONS DYNAMIS THERAPEUTICS, INC. (US) 2006-12-28 WO claimed
CN-1625411-A Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2005-06-08 CN claimed
EP-0194693-B1 POLYPRENYL COMPOUNDS, PROCESSES FOR PREPARING THEM, AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Eisai Co., Ltd. (JP) 1989-07-26 EP claimed
US-3987094-A PREPARING CARBOXYLIC ACIDS FROM GLYCIDONITRILES THE UPJOHN COMPANY (US) 1976-10-19 US claimed
JP-56097224-A None JP disclosed
CN-113330304-B Reduction of in vivo analyte signal degradation using multiple metals 传感技术股份有限公司 2024-06-18 CN disclosed
CN-112955250-B Method and device for carrying out chemical reactions under elevated pressure 巴斯夫欧洲公司 2024-06-11 CN disclosed
CN-117677383-A Combinations of ketone bodies or ketone-forming compounds, analgesics or antioxidants 瑞士凯托股份公司 2024-03-08 CN disclosed
US-11850578-B2 Method and apparatus for performing a chemical reaction under elevated pressure BASF SE (DE) 2023-12-26 US disclosed
US-4391814-A Derivatives of antiphlogistically effective carboxylic acids, their preparation and medicinal use SCHERING AKTIENGESELLSCHAFT (DE) 1983-07-05 US disclosed
EP-0054812-A1 Derivatives of antiphlogistically active carboxylic acids, their preparation and medical application SCHERING AKTIENGESELLSCHAFT (DE) 1982-06-30 EP disclosed
JP-S5697224-A ANTIPYRETIC ANALGESIC COMPOSITION KAKEN PHARMACEUT CO LTD 1981-08-05 JP disclosed
US-4107439-A Process for preparing arylalkanoic acid derivatives THE UPJOHN COMPANY (US) 1978-08-15 US disclosed
JP-S05697224-A 0001-01-01 JP 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-20070066571-A1 Novel bisphosphonates having anti-inflammatory and/or pain-killing properties ENPP2, CD47, SOST KEAP1 3858/4885GABRA1 884/4885GABRB2 1308/4885

“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.