SCHEMBL2174033

SCHEMBL2174033

O=C(c1ccc(O)cc1)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.62
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
MLYCD O95822 9/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL9750821 0.88 CES1 (0.50) CES1ESR1ESR2LMNAMAPT
SCHEMBL9331729 0.88 CES1 (0.50) CES1ESR1ESR2LMNAMAPT
SCHEMBL19056956 0.82 CES1 (0.65) CES1MLYCDTRPV1
Orthocresol SCHEMBL27487631 0.82 CES1 (0.53) CES1ESR1ESR2MLYCDCES2
SCHEMBL8486486 0.80 CES1 (0.56) CES1ESR1ESR2LMNAMLYCD
SCHEMBL16823 0.80 CES1 (0.62) CES1MLYCDCA1CA2TRPV1
SCHEMBL1421656 0.80 CES1 (0.70) CES1HPGDMLYCDCA1CA2
SCHEMBL1851024 0.78 CES1 (0.60) CES1LMNAPKMMLYCDTRPV1
SCHEMBL7054999 0.78 CES1 (0.60) CES1MLYCDTRPV1
SCHEMBL1047383 0.78 CA2 (0.67) CES1LMNAPKMHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112331921-A Lithium ion battery electrolyte flame-retardant additive and preparation method thereof 谷建富 2021-02-05 CN claimed
US-6177417-B1 HOST MATERIAL FOR ION SENSORS Pyun, Hyung Jung (KR) 2001-01-23 US claimed
CN-120535399-B Preparation method of 4- (2, 2-trifluoro-1-alkoxyethyl) phenol 上海麦克林生化科技股份有限公司 2026-03-24 CN disclosed
US-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS KOJIN THERAPEUTICS INC (US) 2026-02-05 US disclosed
CN-120535399-A Preparation method of 4- (2, 2-trifluoro-1-alkoxyethyl) phenol 上海麦克林生化科技股份有限公司 2025-08-26 CN disclosed
EP-4347568-A1 HETEROARYL DIAMIDE IRE1/XBP1S ACTIVATORS Protego Biopharma, Inc. (US) 2024-04-10 EP disclosed
US-20240092757-A1 HETEROARYL DIAMIDE IRE1/XBP1s ACTIVATORS THE SCRIPPS RESEARCH INSTITUTE 2024-03-21 US disclosed
US-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20220397828-A1 COMPOSITION CONTAINING A DICYANOSTYRYL GROUP, FOR FORMING A RESIST UNDERLAYER FILM CAPABLE OF BEING WET ETCHED NISSAN CHEMICAL CORPORATION (JP) 2022-12-15 US disclosed
WO-2022251533-A1 HETEROARYL DIAMIDE IRE1/XBP1S ACTIVATORS PROTEGO BIOPHARMA, INC. (US) 2022-12-01 WO disclosed
WO-2006044707-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-27 WO disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
US-6177417-B1 HOST MATERIAL FOR ION SENSORS Pyun, Hyung Jung (KR) 2001-01-23 US disclosed
CN-1263882-A Method for preparing fluorine-substituted aromatic compound MITSUI CHEMICALS INC (JP) 2000-08-23 CN disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
US-5284838-A Hypotensive agents ELF SANOFI (FR) 1994-02-08 US disclosed
US-5045229-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-09-03 US disclosed
EP-0296975-A1 2,2-Dimethyl-3-chromanol derivatives, process of their preparation and pharmaceutical compositions containing them MERCK PATENT GmbH (DE) 1988-12-28 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-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION IAPP, GPR119, PNLIP CES1 732/4885ESR1 2848/4885ESR2 837/4885
US-20240092757-A1 HETEROARYL DIAMIDE IRE1/XBP1s ACTIVATORS XBP1, HSPA5, DNAJC10 CES1 888/4885ESR1 162/4885ESR2 31/4885
US-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS AIFM2, GPX4, HMOX1 CES1 2029/4885ESR1 3890/4885ESR2 657/4885

“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.