SCHEMBL896163

SCHEMBL896163

O=CCc1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
DAO P14920 4/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
RIPK1 Q13546 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KDM1A O60341 1/20 0.34
MAPK8 P45983 1/20 0.34
CNR1 P21554 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL2172166 0.80 PIK3CA (0.45) ALDH1A1DAOTSHRCNR2
SCHEMBL4771684 0.80 PARP1 (0.40) ALDH1A1MAOAMAOB
SCHEMBL2432440 0.80 KDM4E (0.45) ALDH1A1MAOAMAOBTSHR
SCHEMBL2370050 0.80 DAO (0.45) DAO
SCHEMBL30260017 0.80 KDM4E (0.45) ALDH1A1MAOAMAOBTSHR
SCHEMBL13224693 0.80 KIF11 (0.30)
SCHEMBL4767670 0.80 CA6 (0.46) ALDH1A1CNR1CNR2
SCHEMBL24410558 0.80 ERN1 (0.35) HTTALDH1A1L3MBTL1
SCHEMBL3414018 0.80 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL2557796 0.80 DAO (0.45) ALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723754-B1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME LLC (US) 2026-05-13 EP claimed
CN-120154006-A Application of p-fluorobenzaldehyde and composition containing p-fluorobenzaldehyde in attracting cotton bollworms 中国农业科学院植物保护研究所 2025-06-17 CN disclosed
US-20250129048-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2025-04-24 US disclosed
WO-2024229221-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE CAPULUS THERAPEUTICS, LLC (US) 2024-11-07 WO disclosed
EP-4452251-A1 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES Veralox Therapeutics Inc. (US) 2024-10-30 EP disclosed
CN-116589454-A Aromatic heterocyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-08-15 CN disclosed
WO-2023122494-A1 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES VERALOX THERAPEUTICS (US) 2023-06-29 WO disclosed
EP-4097087-A1 [(1,4,5-TRISUBSTITUTED-1H-PYRAZOL-3-YL)SULFANYL]ACETIC ACID DERIVATIVES, SALTS THEREOF, AND USE THEREOF AS HERBICIDAL INGREDIENTS Bayer Aktiengesellschaft (DE) 2022-12-07 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11319300-B2 Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) 2022-05-03 US disclosed
US-6500503-B2 Liquid crystal compound containing fluoro substituted benzene ring CHISSO CORPORATION (JP) 2002-12-31 US disclosed
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same CENTRAL GLASS COMPANY, LIMITED (JP) 2002-08-01 US disclosed
US-20020066888-A1 Cyclohexane derivatives, liquid crystal compositions comprising the same and liquid crystal display devices JNC PETROCHEMICAL CORPORATION (JP) 2002-06-06 US disclosed
EP-1149885-A1 Cyclohexane derivatives, liquid crystal compositions comprising the same and liquid crystal display devices CHISSO CORPORATION (JP) 2001-10-31 EP disclosed
US-5998415-A Bicyclic heteroaryl-alkylene-(homo)piperazinones and thione analogues thereof, their preparation, and their use of as selective agonists of 5-HT1 -like receptors MERCK SHARP & DOHME LTD. (GB) 1999-12-07 US disclosed
US-5973156-A Piperidine and tetrahydropyridine derivatives MERCK SHARP & DOME LTD. (GB) 1999-10-26 US disclosed
US-5889008-A Substituted 1-indolylpropyl-4-phenethylpiperazadine derivatives MERCK SHARP & DOHME, LTD. (GB) 1999-03-30 US disclosed
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed
WO-1997016446-A1 BICYCLIC HETEROARYL-ALKYLENE-(HOMO)PIPERAZINONES AND THIONE ANALOGUES THEREOF, THEIR PREPARATION AND THEIR USE AS SELECTIVE AGONISTS OF 5-HT1-LIKE RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1997-05-09 WO 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 (4 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-11319300-B2 Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof AKT1, AKT2, AKT3 HTT 1535/4885ALDH1A1 3227/4885DAO 1028/4885
US-20020066888-A1 Cyclohexane derivatives, liquid crystal compositions comprising the same and liquid crystal display devices SCO2, KLK1, HCN2 HTT 4568/4885ALDH1A1 2264/4885DAO 2027/4885
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same MAP2K5, MAP2K4, MAP2K1 HTT 469/4885ALDH1A1 1280/4885DAO 352/4885
US-20250129048-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF MC4R, MC3R, MC2R HTT 1201/4885ALDH1A1 3955/4885DAO 2072/4885

“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.