SCHEMBL1056586

SCHEMBL1056586

O=C(c1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.67
CES2 O00748 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
SRC P12931 1/20 0.44
CA2 P00918 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
CA4 P22748 2/20 0.42
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL498072 0.86 CES1 (0.61) CES1CES2TSHRALDH1A1DAO
SCHEMBL31758199 0.85 CES1 (0.59) CES1CES2TSHRALDH1A1DAO
SCHEMBL8797871 0.83 CES1 (0.57) CES1CES2TSHRALDH1A1DAO
SCHEMBL10528373 0.81 CES1 (0.67) CES1CES2TSHRALDH1A1DAO
SCHEMBL7907262 0.80 CES1 (0.73) CES1CES2TSHRALDH1A1DAO
SCHEMBL33083 0.80 CES1 (1.00) CES1CES2TSHRALDH1A1DAO
Benzene SCHEMBL27672585 0.80 CES1 (1.00) CES1CES2TSHRALDH1A1DAO
SCHEMBL1645835 0.79 CES1 (0.64) CES1CES2TSHRALDH1A1DAO
Water SCHEMBL8534837 0.79 CES1 (0.64) CES1CES2TSHRALDH1A1DAO
SCHEMBL1272402 0.79 CES1 (0.52) CES1CES2CA2CA1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420855-A Polyelectrolyte material with high alkali resistance and high conductivity 广东鸣洋科技有限公司 2024-08-02 CN claimed
CN-111303183-A Synthetic method of tetracarboxylic dianhydride with fluorinated rigid structure 浙江中科玖源新材料有限公司 2020-06-19 CN claimed
CN-111303183-A Synthetic method of tetracarboxylic dianhydride with fluorinated rigid structure 浙江中科玖源新材料有限公司 2020-06-19 CN disclosed
US-9328061-B2 Simple organic molecules as catalysts for practical and efficient enantioselective synthesis of amines and alcohols TRUSTEES OF BOSTON COLLEGE (US) 2016-05-03 US disclosed
US-9328061-B2 Simple organic molecules as catalysts for practical and efficient enantioselective synthesis of amines and alcohols TRUSTEES OF BOSTON COLLEGE (US) 2016-05-03 US disclosed
US-20150231177-A1 Methods and Compositions for Controlled and Sustained Production and Delivery of Peroxides and/or Oxygen for Biological and Industrial Applications VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-08-20 US disclosed
US-20150057451-A1 SIMPLE ORGANIC MOLECULES AS CATALYSTS FOR PRACTICAL AND EFFICIENT ENANTIOSELECTIVE SYNTHESIS OF AMINES AND ALCOHOLS NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT 2015-02-26 US disclosed
US-20150057451-A1 SIMPLE ORGANIC MOLECULES AS CATALYSTS FOR PRACTICAL AND EFFICIENT ENANTIOSELECTIVE SYNTHESIS OF AMINES AND ALCOHOLS NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT 2015-02-26 US disclosed
WO-2013131043-A1 SIMPLE ORGANIC MOLECULES AS CATALYSTS FOR PRACTICAL AND EFFICIENT ENANTIOSELECTIVE SYNTHESIS OF AMINES AND ALCOHOLS TRUSTEES OF BOSTON COLLEGE (US) 2013-09-06 WO disclosed
US-20120207793-A1 Methods and Compositions for Controlled and Sustained Production and Delivery of Peroxides and/or Oxygen for Biological and Industrial Applications VIRGINIA COMMONWEALTH UNIVERSITY 2012-08-16 US disclosed
US-7863298-B2 Bridged ring structures as pharmaceutical agents EXELIXIS, INC. (US) 2011-01-04 US disclosed
US-5097000-A Polyimides, packaging for electronic equipment E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-17 US disclosed
EP-0458201-A2 9,9-Bis(perfluoroalkyl)xanthene 9-aryl-9-perfluoroalkylxanthene, monomers and polymers derived therefrom E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-27 EP disclosed
US-5051520-A Chemical intermediates for polymers such as polyimides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-09-24 US disclosed
US-5017719-A Esterification HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-21 US disclosed
US-4835318-A Process for the preparation of aryl perfluoroalkyl ketones HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-30 US disclosed
US-4378366-A HYPOTENSIVE AND CARDIOTONIC AGENTS; ADRENERGIC STIMULANTS SCIENCE UNION ET CIE (FR) 1983-03-29 US disclosed
US-4315020-A Oxazoline (trifluoroethyl) amine SCIENCE UNION ET CIE (FR) 1982-02-09 US disclosed
US-4315019-A Novel aryltrifluoroethylamines and processes for producing the same SCIENCE UNION ET CIE (FR) 1982-02-09 US disclosed
US-4267345-A 2-//PYRROL-2-YL, THIEN-2-YL, OR FUR-2-YL/-ALPHA-TRIFLUOROALKYL-AMINOOXAZOLINES; HYPOTENSIVE AGENTS SCIENCE UNION ET CIE (FR) 1981-05-12 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-20150057451-A1 SIMPLE ORGANIC MOLECULES AS CATALYSTS FOR PRACTICAL AND EFFICIENT ENANTIOSELECTIVE SYNTHESIS OF AMINES AND ALCOHOLS ADH1C, ADH5, ADH1A CES1 782/4885CES2 239/4885TSHR 1559/4885

“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.