SCHEMBL1042453

SCHEMBL1042453

O=C(Cc1ccccc1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 1.00
FAAH O00519 3/20 0.56
CES2 O00748 1/20 0.56
AKR1B1 P15121 1/20 0.56
CPA1 P15085 1/20 0.55
PTPN1 P18031 1/20 0.50
PAM P19021 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47

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
SCHEMBL5709778 1.00 CES1 (1.00) CES1FAAHCES2AKR1B1CPA1
SCHEMBL583920 0.88 CES1 (0.78) CES1FAAHMEN1KMT2AHDAC8
SCHEMBL4753311 0.84 CES1 (0.71) CES1FAAHCES2AKR1B1CPA1
SCHEMBL2381708 0.83 CES1 (0.69) CES1HDAC6
SCHEMBL16405134 0.83 CES1 (0.70) CES1FAAHCES2AKR1B1CPA1
SCHEMBL13498524 0.83 CES1 (0.70) CES1FAAHCES2AKR1B1CPA1
SCHEMBL9314779 0.83 CES1 (0.70) CES1FAAHCES2AKR1B1CPA1
SCHEMBL10433444 0.83 CES1 (0.70) CES1FAAHCES2AKR1B1CPA1
Phenylacetic Acid SCHEMBL27489228 0.80 AKR1B1 (0.74) CES1CES2AKR1B1CPA1PAM
SCHEMBL10431529 0.80 CES1 (0.67) CES1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134376-B Synthetic method of 3-trifluoroacetyl indazole derivative 华南理工大学 2021-09-21 CN claimed
CN-107445880-B A kind of trifluoromethyl modification AβThe synthetic method of -42 inhibitor structure analogs 华南理工大学 2019-07-16 CN claimed
CN-107445880-A A kind of trifluoromethyl modifies AβThe synthetic method of 42 inhibitor structure analogs 华南理工大学 2017-12-08 CN claimed
WO-2009032840-A1 FLUORINE- SUBSTITUTED 2 ', 6 ' -DIMETHYL-L-TYROSINE-1, 2,3, 4-TETRAHYDR0IS0QUIN0LINE-3-CARB0XYLIC ACID PEPTIDES (DMT-TIC) FOR USE AS MYU- AND DELTA-OPIOID RECEPTOR PROBES IN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-12 WO claimed
EP-0646113-B1 SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS BASF AG (DE) 1996-12-18 EP claimed
US-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS KOJIN THERAPEUTICS INC (US) 2026-02-05 US disclosed
WO-2025230736-A1 ENGINEERED BIOCATALYSTS FOR THE SYNTHESIS OF GAMMA-HYDROXY AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2025-11-06 WO disclosed
EP-4565228-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2025-06-11 EP disclosed
WO-2024030960-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2024-02-08 WO disclosed
US-20240026396-A1 METHOD FOR PRODUCING TERTIARY BETA-HYDROXY-ALPHA-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2024-01-25 US disclosed
US-20240026396-A1 METHOD FOR PRODUCING TERTIARY BETA-HYDROXY-ALPHA-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2024-01-25 US disclosed
US-20240026396-A1 METHOD FOR PRODUCING TERTIARY BETA-HYDROXY-ALPHA-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2024-01-25 US disclosed
EP-0485716-B1 Process for the preparation of insecticidal, acaricidal and nematicidal 4-substituted-5-(trifluoromethyl)pyrrole-3-carbonitrile compounds AMERICAN CYANAMID CO (US) 1996-02-28 EP disclosed
EP-0623103-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES. HOECHST SCHERING AGREVO GMBH (DE) 1994-11-09 EP disclosed
WO-1993014054-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES HOECHST SCHERING AGREVO GMBH (DE) 1993-07-22 WO disclosed
EP-0485716-A1 Process for the preparation of insecticidal, acaricidal and nematicidal 4-substituted-5-(trifluoromethyl)pyrrole-3-carbonitrile compounds AMERICAN CYANAMID COMPANY (US) 1992-05-20 EP disclosed
US-5106985-A PROCESS FOR THE PREPARATION OF INSECTICIDAL, NEMATICIDAL AND ACARICIDAL 4-SUBSTITUTED-5-(TRIFLUOROMETHYL)PYRROLE-3-CARBONITRILE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed
EP-0253503-B1 SUBSTITUTED ANILIDES HAVING ANTIANDROGENIC PROPERTIES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-11 EP disclosed
US-4130554-A ANTISECRETORY, GROWTH INHIBITORS, LOWER BLOOD GLUCOSE MERCK & CO., INC. (US) 1978-12-19 US disclosed
US-3963691-A POLYPEPTIDES, PEPTIZATION MERCK & CO., INC. (US) 1976-06-15 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 (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-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS AIFM2, GPX4, HMOX1 CES1 2029/4885FAAH 2756/4885CES2 3131/4885

“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.