SCHEMBL586089

SCHEMBL586089

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.55
CES2 O00748 3/20 0.54
RXRA P19793 2/20 0.52
RXRB P28702 2/20 0.52
RXRG P48443 2/20 0.52
PPARA Q07869 2/20 0.49
SRD5A2 P31213 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
VNN1 O95497 2/20 0.46
HCAR2 Q8TDS4 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
CES1 P23141 1/20 0.43

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
SCHEMBL30770849 1.00 HCAR1 (0.55) HCAR1CES2RXRARXRBRXRG
Hydrochloric Acid SCHEMBL12097700 0.98 HCAR1 (0.53) HCAR1CES2RXRARXRBRXRG
SCHEMBL545011 0.87 CES2 (0.62) CES2RXRARXRBRXRGSRD5A2
SCHEMBL503980 0.87 CES2 (0.70) CES2RXRARXRBRXRGSRD5A2
SCHEMBL27757817 0.85 CES2 (0.56) CES2RXRARXRBRXRGSRD5A2
Hydrochloric Acid SCHEMBL7485970 0.85 CES2 (0.67) CES2RXRARXRBRXRGSRD5A2
SCHEMBL28119413 0.85 CES2 (0.67) CES2RXRARXRBRXRGSRD5A2
SCHEMBL1827001 0.83 CES2 (0.54) CES2RXRARXRBRXRGVNN1
SCHEMBL679313 0.82 CES2 (0.52) CES2RXRARXRBRXRGVNN1
SCHEMBL30437904 0.82 CES2 (0.52) CES2RXRARXRBRXRGVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO claimed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO claimed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO claimed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
CN-116535365-A Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer ITEOS比利时公司 2023-08-04 CN claimed
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 US claimed
EP-4132933-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-02-15 EP claimed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP 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
CN-110088108-A SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS 利奥制药有限公司 2019-08-02 CN claimed
US-20180198069-A1 P-Doping Cross-Linking Of Organic Hole Transporters SIEMENS AKTIENGESELLSCHAFT (DE) 2018-07-12 US claimed
EP-3057151-B1 BISMUTH AND TIN COMPLEXES AS P DOTANDS FOR ORGANIC ELECTRONIC MATRIX MATERIALS SIEMENS AG (DE) 2018-01-31 EP claimed
US-20170098787-A1 MAIN GROUP METAL COMPLEXES AS P-DOPANTS FOR ORGANIC ELECTRONIC MATRIX MATERIALS SIEMENS AKTIENGESELLSCHAFT (DE) 2017-04-06 US claimed
EP-3057151-A1 PRINCIPAL GROUP METAL COMPLEXES AS P DOTANDS FOR ORGANIC ELECTRONIC MATRIX MATERIALS Siemens Aktiengesellschaft (DE) 2016-08-17 EP claimed
US-8853619-B2 Method for detecting tracer compounds for hydrocarbon production TOTAL S.A. (FR) 2014-10-07 US claimed
US-20110260051-A1 METHOD FOR DETECTING TRACER COMPOUNDS FOR HYDROCARBON PRODUCTION TOTAL S.A. (FR) 2011-10-27 US claimed
US-20260125374-A1 PI3K-ALPHA INHIBITORS AND METHODS OF MAKING AND USING THE SAME RELAY THERAPEUTICS INC (US) 2026-05-07 US disclosed
EP-0612723-A1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-31 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 (3 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-20170098787-A1 MAIN GROUP METAL COMPLEXES AS P-DOPANTS FOR ORGANIC ELECTRONIC MATRIX MATERIALS SCO2, SOD3, NCOA3 HCAR1 2787/4885CES2 3153/4885RXRA 331/4885
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 HCAR1 136/4885CES2 4086/4885RXRA 1817/4885
US-20260125374-A1 PI3K-ALPHA INHIBITORS AND METHODS OF MAKING AND USING THE SAME PIK3CD, PI4KA, PIK3C2A HCAR1 4766/4885CES2 4139/4885RXRA 3426/4885

“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.