SCHEMBL145273

SCHEMBL145273

Cc1ccc(F)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.59
CLCN2 P51788 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
NOTUM Q6P988 2/20 0.47
AVPR2 P30518 1/20 0.47
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
MCL1 Q07820 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
DHFR P00374 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 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
SCHEMBL29780492 1.00 KEAP1 (0.59) KEAP1CLCN2CES2CES1NOTUM
Hydrochloric Acid SCHEMBL18861016 0.98 KEAP1 (0.57) KEAP1CLCN2CES2CES1NOTUM
SCHEMBL29724125 0.86 KEAP1 (0.44) KEAP1CLCN2CES2CES1NOTUM
SCHEMBL14415777 0.84 CES2 (0.50) KEAP1CLCN2CES2CES1AVPR2
SCHEMBL7326903 0.84 MCL1 (0.54) KEAP1NOTUMMCL1KDM4EALDH1A1
SCHEMBL29728646 0.83 KEAP1 (0.53) KEAP1CLCN2CES2CES1NOTUM
SCHEMBL3932311 0.83 CES2 (0.48) KEAP1CLCN2CES2CES1AVPR2
SCHEMBL543572 0.83 KEAP1 (0.53) KEAP1CLCN2CES2CES1NOTUM
SCHEMBL5940653 0.81 TTR (0.70) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1364589 0.81 CES2 (0.47) KEAP1CLCN2CES2CES1AVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
CN-112358447-B Synthesis method of 7-fluoroisoquinoline-1-carboxylic acid 苏州康润医药有限公司 2022-04-12 CN claimed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
CN-108929217-B Preparation method of 2-methyl-5-fluorobenzoic acid 浙江天宇药业股份有限公司 2021-02-26 CN claimed
CN-112358447-A Synthesis method of 7-fluoroisoquinoline-1-carboxylic acid 苏州康润医药有限公司 2021-02-12 CN claimed
CN-107681052-B Main group metal complexes as p-dopants for organic electronic matrix materials 西门子公司 2020-03-24 CN claimed
US-10483466-B2 P-doping cross-linking of organic hole transporters SIEMENS AKTIENGESELLSCHAFT (DE) 2019-11-19 US claimed
EP-3114715-B1 P-DOPING CROSS-LINKING OF ORGANIC HOLE TRANSPORTERS SIEMENS AG (DE) 2019-10-30 EP claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
US-20180198069-A1 P-Doping Cross-Linking Of Organic Hole Transporters SIEMENS AKTIENGESELLSCHAFT (DE) 2018-07-12 US claimed
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) 2012-04-12 US claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS KEAP1 3106/4885CLCN2 3575/4885CES2 594/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 KEAP1 1864/4885CLCN2 923/4885CES2 1598/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 KEAP1 2845/4885CLCN2 4213/4885CES2 2351/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS KEAP1 3106/4885CLCN2 3575/4885CES2 594/4885

“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.