SCHEMBL545011

SCHEMBL545011

O=C(O)c1cc(C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.62
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
RXRG P48443 1/20 0.59
SRD5A2 P31213 3/20 0.54
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
DHODH Q02127 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
GPR35 Q9HC97 1/20 0.45
SLC6A2 P23975 1/20 0.45
P2RY14 Q15391 1/20 0.45
CES1 P23141 1/20 0.44
P2RX1 P51575 1/20 0.44
NOTUM Q6P988 1/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL503980 0.95 CES2 (0.70) CES2RXRARXRBRXRGSRD5A2
SCHEMBL28119413 0.93 CES2 (0.67) CES2RXRARXRBRXRGSRD5A2
Hydrochloric Acid SCHEMBL7485970 0.93 CES2 (0.67) CES2RXRARXRBRXRGSRD5A2
SCHEMBL3082270 0.87 RXRA (0.72) CES2RXRARXRBRXRGSRD5A2
SCHEMBL17048588 0.87 RXRA (0.72) CES2RXRARXRBRXRGSRD5A2
SCHEMBL586089 0.87 HCAR1 (0.55) CES2RXRARXRBRXRGSRD5A2
SCHEMBL477824 0.87 CA12 (0.60) CES2RXRARXRBRXRGSRD5A2
SCHEMBL29789615 0.87 CA12 (0.60) CES2RXRARXRBRXRGSRD5A2
SCHEMBL30770849 0.87 HCAR1 (0.55) CES2RXRARXRBRXRGSRD5A2
SCHEMBL21609818 0.86 CES2 (0.48) CES2RXRARXRBRXRGSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955883-A Preparation method of intrinsic type fluorine-containing polyester resin, self-cleaning powder coating based on intrinsic type fluorine-containing polyester resin and preparation method of self-cleaning powder coating 安徽美佳新材料股份有限公司 2024-11-15 CN claimed
CN-118955883-A Preparation method of intrinsic type fluorine-containing polyester resin, self-cleaning powder coating based on intrinsic type fluorine-containing polyester resin and preparation method of self-cleaning powder coating 安徽美佳新材料股份有限公司 2024-11-15 CN disclosed
US-20240319624-A1 RESIN PARTICLES, TONER, METHOD FOR MANUFACTURING RESIN PARTICLES, IMAGE FORMING APPARATUS, AND METHOD OF FORMING IMAGE RICOH COMPANY, LTD. (JP) 2024-09-26 US disclosed
EP-4174108-B1 RESIN PARTICLE, TONER, DEVELOPER, DEVELOPER STORAGE CONTAINER, RESIN PARTICLE PRODUCING METHOD, TONER PRODUCING METHOD, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD RICOH CO LTD (JP) 2024-09-18 EP disclosed
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ZEALAND PHARMA A/S (DK) 2024-09-03 US disclosed
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2023-12-21 US disclosed
US-20230324823-A1 RESIN PARTICLES, TONER, DEVELOPER, TONER HOUSING UNIT, IMAGE FORMING APPARATUS, AND METHOD OF FORMING IMAGE RICOH COMPANY, LTD. (JP) 2023-10-12 US disclosed
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ZEALAND PHARMA A/S (DK) 2023-08-01 US disclosed
US-20230139673-A1 RESIN PARTICLE, TONER, DEVELOPER, DEVELOPER STORAGE CONTAINER, RESIN PARTICLE PRODUCING METHOD, TONER PRODUCING METHOD, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD RICOH COMPANY, LTD. (JP) 2023-05-04 US disclosed
EP-4174108-A1 RESIN PARTICLE, TONER, DEVELOPER, DEVELOPER STORAGE CONTAINER, RESIN PARTICLE PRODUCING METHOD, TONER PRODUCING METHOD, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD Ricoh Company, Ltd. (JP) 2023-05-03 EP disclosed
EP-1707588-A1 RESIN AND RESIN COMPOSITION Asahi Kasei EMD Corporation (JP) 2006-10-04 EP disclosed
US-20060204882-A1 Toner, toner manufacturing method, developer, image forming apparatus, and process cartridge for the image forming apparatus RICOH COMPANY LIMITED (JP) 2006-09-14 US disclosed
US-20060161016-A1 Bis(3-amino-4-hydroxyphenyl)adamantane derivatives and process for production thereof IDEMITSU KOSAN CO., LTD. (JP) 2006-07-20 US disclosed
US-7049371-B2 Material for an insulating film, coating varnish for an insulating film, and insulating film and semiconductor device using the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2006-05-23 US disclosed
EP-1602641-A1 BIS(3-AMINO-4-HYDROXYPHENYL)ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF IDEMITSU KOSAN COMPANY LIMITED (JP) 2005-12-07 EP disclosed
US-20040002572-A1 Material for an insulating film, coating varnish for an insulating film, and insulating film and semiconductor device using the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2004-01-01 US disclosed
EP-1333050-A1 MATERIAL FOR INSULATING FILM, COATING VARNISH FOR INSULATING FILM, AND INSULATING FILM AND SEMICONDUCTOR DEVICE USING THE SAME SUMITOMO BAKELITE CO., LTD. (JP) 2003-08-06 EP disclosed
EP-1327653-A1 HEAT-RESISTANT RESIN PRECURSOR, HEAT-RESISTANT RESIN AND INSULATING FILM AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2003-07-16 EP disclosed
US-6518390-B2 Polybenzoxazole and crosslinking agent SUMITOMO BAKELITE COMPANY, LTD. (JP) 2003-02-11 US disclosed
US-20020013443-A1 Precursor of a heat resistant resin, heat resistant resin, insulating film and semiconductor device SUMITOMO BAKELITE CO., LTD. (JP) 2002-01-31 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 (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-20060161016-A1 Bis(3-amino-4-hydroxyphenyl)adamantane derivatives and process for production thereof HTR3D, ALKBH3, ALKBH5 CES2 934/4885RXRA 2212/4885RXRB 1920/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 CES2 4014/4885RXRA 2321/4885RXRB 1588/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 CES2 3946/4885RXRA 2945/4885RXRB 2081/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 CES2 4214/4885RXRA 2909/4885RXRB 2076/4885

“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.