SCHEMBL502871

SCHEMBL502871

O=Cc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
ERN1 O75460 3/20 0.47
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42
PTP4A3 O75365 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPN1 P18031 1/20 0.38
GRIK1 P39086 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36
POLQ O75417 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL29213632 0.85 KIF11 (0.46) TDP1ERN1KDM4EHSD17B10MAPT
SCHEMBL16579516 0.85 TDP1 (0.52) TDP1ERN1RAB9ACYP1A2CYP2D6
SCHEMBL868931 0.84 ERN1 (0.52) TDP1ERN1RAB9ACYP1A2CYP2D6
SCHEMBL28240259 0.82 TDP1 (0.40) TDP1ERN1RAB9ACYP1A2CYP2D6
SCHEMBL15823461 0.81 AR (0.56) TDP1ERN1KDM4ESMN1; SMN2
SCHEMBL9996385 0.80 HCAR1 (0.39) TDP1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL9996387 0.80 HCAR1 (0.39) TDP1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL472401 0.78 CES2 (0.50) ERN1HCAR1KDM4EMAPTSMN1; SMN2
SCHEMBL6852469 0.78 APP (0.49) TDP1ERN1RAB9AKDM4EHSD17B10
SCHEMBL333114 0.78 IDO1 (0.42) ERN1HCAR1KDM4EPTPN1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-108529988-B Impervious concrete for shield segment and preparation method thereof 北京港创瑞博混凝土有限公司 2020-12-01 CN claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
US-12435078-B2 Pyridazinones and methods of use thereof GFB (ABC), LLC (US) 2025-10-07 US disclosed
EP-4605364-A1 PROCESS FOR THE PREPARATION OF 4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL GRIGNARD COMPOUND AND DERIVATIVES THEREOF BASF Agro B.V. (NL) 2025-08-27 EP disclosed
CN-120051451-A Process for preparing 4-chloro-2- (trifluoromethyl) phenyl grignard compounds and derivatives thereof 巴斯夫农业公司 2025-05-27 CN disclosed
CN-118255659-A Preparation method of 2-trifluoromethyl benzoyl chloride and derivatives thereof 辽宁天予化工有限公司 2024-06-28 CN disclosed
WO-2024083545-A1 PROCESS FOR THE PREPARATION OF 4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL GRIGNARD COMPOUND AND DERIVATIVES THEREOF BASF Agro B.V. (NL) 2024-04-25 WO disclosed
CN-113302185-B Benzofuran-6-carboxamide derivatives, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2024-04-09 CN disclosed
CN-115677635-B Orange ketone derivative and application thereof 中国科学院新疆理化技术研究所 2024-04-09 CN disclosed
EP-0968177-A1 METHOD FOR PRODUCING AROMATIC NITRILES Bayer Aktiengesellschaft (DE) 2000-01-05 EP disclosed
WO-1998037058-A1 METHOD FOR PRODUCING AROMATIC NITRILES BAYER AKTIENGESELLSCHAFT (DE) 1998-08-27 WO disclosed
CN-1016868-B Process for preparing 5-aralkyl-4-alkoxy-2 (5H) -furanone SCHWABE WILLMAR GMBH & CO (DE) 1992-06-03 CN disclosed
US-5041683-A Nuclear-fluorinated trifluoromethylbenzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0247320-B1 5-ARYLALKYL-4-ALKOXY-2(5H)-FURANONES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION AS WELL AS THEIR APPLICATION AS THERAPEUTICALLY ACTIVE INGREDIENTS SCHWABE WILLMAR GMBH & CO (DE) 1990-12-27 EP disclosed
US-4855320-A ANTICONVULSANTS, ANTIEPILEPTICS DR. WILLMAR SCHWABE GMBH & COMPANY (DE) 1989-08-08 US disclosed
EP-0247320-A2 5-Arylalkyl-4-alkoxy-2(5H)-furanones, intermediates and process for their preparation as well as their application as therapeutically active ingredients Dr. Willmar Schwabe GmbH & Co. (DE) 1987-12-02 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 (2 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-12435078-B2 Pyridazinones and methods of use thereof PDXK, ATP6V1B1, REN TDP1 1811/4885ERN1 4529/4885RAB9A 3018/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC TDP1 4681/4885ERN1 1340/4885RAB9A 3902/4885

“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.