SCHEMBL29366090

SCHEMBL29366090

Nc1cccc(OC(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAOB P27338 2/20 0.52
▸ POLB P06746 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TP53 P04637 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KIF11 P52732 1/20 0.47
▸ CASP1 P29466 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ XDH P47989 1/20 0.45
▸ DHFR P00374 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ GPR3 P46089 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ USP2 O75604 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
SCHEMBL1523 1.00 CYP3A4 (0.54) CYP3A4ALDH1A1MAOBPOLBHSP90AA1
Hydrochloric Acid SCHEMBL31174567 0.98 POLB (0.53) CYP3A4ALDH1A1MAOBPOLBHSP90AA1
Hydrochloric Acid SCHEMBL27585318 0.98 POLB (0.53) CYP3A4ALDH1A1MAOBPOLBHSP90AA1
SCHEMBL3277697 0.92 MAOB (0.60) CYP3A4ALDH1A1MAOBPOLBHSP90AA1
SCHEMBL21770975 0.88 XDH (0.51) CYP3A4ALDH1A1TSHRMAPK1KIF11
Trifluoroacetic Acid SCHEMBL12480672 0.88 NOTUM (0.47) CYP3A4ALDH1A1MAOBKIF11XDH
SCHEMBL1241773 0.87 MAOB (0.63) CYP3A4ALDH1A1MAOBPOLBHSP90AA1
SCHEMBL12760709 0.84 CYP19A1 (0.55) CYP3A4ALDH1A1MAOBMAPTKIF11
SCHEMBL12760707 0.84 CYP19A1 (0.55) CYP3A4ALDH1A1MAOBMAPTKIF11
SCHEMBL22232531 0.84 MPO (0.51) MAOBKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120064487-A Detection method of 4-trifluoromethoxy aniline related substances 石家庄四药有限公司 2025-05-30 — — CN claimed
CN-118772041-A Bisphenol compound with halogen-containing side groups, and preparation method and application thereof 中国科学院大连化学物理研究所 2024-10-15 — — CN claimed
CN-114324620-B Method for detecting p-trifluoromethoxy aniline and related impurities 鲁南制药集团股份有限公司 2024-10-11 — — CN claimed
EP-4021441-A1 MEMBRANE-ACTIVE ANTI-BACTERIAL COMPOUNDS AND USES THEREOF Trustees of Dartmouth College (US) 2022-07-06 — — EP claimed
US-12391663-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS AG (CH) 2025-08-19 — — US disclosed
CN-120064487-A Detection method of 4-trifluoromethoxy aniline related substances 石家庄四药有限公司 2025-05-30 — — CN disclosed
US-20250170127-A1 RE-SENSITIZING MULTIDRUG-RESISTANT (MDR) GRAM-NEGATIVE BACTERIA TO COLISTIN USING IONOPHORES UNIV COLORADO REGENTS (US) 2025-05-29 — — US disclosed
CN-116283658-B Hydrazide hydrazone HIF-2 alpha inhibitor and application thereof 浙江大学医学院附属第一医院 2025-04-25 — — CN disclosed
US-20250114350-A1 INHIBITORS OF PRENYLTRANSFERASES AS ANTIFUNGAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2025-04-10 — — US disclosed
CN-119680488-A Plate-type microchannel reactor and method for nitrifying trifluoromethoxybenzene by using same 沈阳化工研究院有限公司 2025-03-25 — — CN disclosed
CN-119638639-A Biaryl compound with anti-cell necrotic apoptosis activity, derivative and application thereof 中国药科大学 2025-03-18 — — CN disclosed
CN-115697485-B Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2025-03-14 — — CN disclosed
CN-114174267-A Pesticidal pyrazole and triazole derivatives 巴斯夫欧洲公司 2022-03-11 — — CN disclosed
CN-114014890-A Compound with RIP2 kinase inhibitory activity, pharmaceutical composition containing same, and application thereof 爱科诺生物医药(香港)有限公司 2022-02-08 — — CN disclosed
WO-2022020888-A1 COMPOUNDS Esfam Biotech Pty Ltd (AU) 2022-02-03 — — WO disclosed
WO-2022020889-A1 METHOD OF TREATMENT OF CYTOMEGALOVIRUS Esfam Biotech Pty Ltd (AU) 2022-02-03 — — WO disclosed
WO-2022020890-A1 TREATMENT OF VETERINARY CONDITIONS ASSOCIATED WITH CD151 Esfam Biotech Pty Ltd (AU) 2022-02-03 — — WO disclosed
WO-2022020887-A1 TREATMENT OF CD151 RELATED DISORDERS Esfam Biotech Pty Ltd (AU) 2022-02-03 — — WO disclosed
WO-2022020891-A1 METHODS OF PROPHYLAXIS AND TREATMENT OF CORONA VIRUS Esfam Biotech Pty Ltd (AU) 2022-02-03 — — WO disclosed
CN-113993931-A Polymers for use in electronic devices 杜邦电子公司 2022-01-28 — — CN 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-20250114350-A1 INHIBITORS OF PRENYLTRANSFERASES AS ANTIFUNGAL AGENTS FNTA, FNTB, FDPS CYP3A4 1029/4885ALDH1A1 2611/4885MAOB 3301/4885
US-12391663-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 CYP3A4 684/4885ALDH1A1 1142/4885MAOB 1169/4885
US-20250170127-A1 RE-SENSITIZING MULTIDRUG-RESISTANT (MDR) GRAM-NEGATIVE BACTERIA TO COLISTIN USING IONOPHORES MCRS1, MRPS18A, NPEPPS CYP3A4 4772/4885ALDH1A1 4873/4885MAOB 4637/4885

“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.

Send feedback