SCHEMBL40676

SCHEMBL40676

O=Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
NPFFR1 Q9GZQ6 2/20 0.53
NPFFR2 Q9Y5X5 2/20 0.53
KDR P35968 2/20 0.47
KIF11 P52732 1/20 0.47
VCAM1 P19320 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
IDO1 P14902 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
PDK1 Q15118 1/20 0.42
HSD17B10 Q99714 1/20 0.41
NOTUM Q6P988 5/20 0.41
ALDH1A3 P47895 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL18002824 0.88 ALDH1A1 (0.46) ALDH1A1NPFFR1NPFFR2KDRKIF11
SCHEMBL30861660 0.85 KIF11 (0.63) ALDH1A1NPFFR1NPFFR2KDRKIF11
SCHEMBL17115582 0.85 KIF11 (0.63) ALDH1A1NPFFR1NPFFR2KDRKIF11
SCHEMBL16475651 0.85 ALDH1A1 (0.53) ALDH1A1NPFFR1NPFFR2KDRKIF11
SCHEMBL16976598 0.85 ALDH1A1 (0.53) ALDH1A1NPFFR1NPFFR2KDRKIF11
SCHEMBL472520 0.84 ALDH1A1 (0.57) ALDH1A1NPFFR1NPFFR2KDRKIF11
SCHEMBL29417704 0.84 ALDH1A1 (0.57) ALDH1A1NPFFR1NPFFR2KDRKIF11
SCHEMBL9901133 0.83 IDO1 (0.51) ALDH1A1NPFFR1NPFFR2KDRKIF11
SCHEMBL11132179 0.82 ALDH1A1 (0.50) ALDH1A1NPFFR1NPFFR2KDRKIF11
SCHEMBL18420271 0.82 NPFFR1 (0.48) ALDH1A1NPFFR1NPFFR2KDRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652153-A Method for synthesizing organic nitrile compound from aldehyde 国科大杭州高等研究院 2024-09-17 CN claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US 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-6331649-B1 REDUCING AN OXIME BY CATALYTIC HYDROGENTATION IN SOLVENT CONTAINING AN ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-18 US claimed
EP-0581079-A1 Particular 1,4-dihydropyridine-3,5-dicarboxylic acid ester, process for its preparation and its pharmaceutical use BAYER AG (DE) 1994-02-02 EP claimed
US-12286432-B2 Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof OCUTERRA THERAPEUTICS, INC. (US) 2025-04-29 US disclosed
CN-119490487-A Polysubstituted tetrahydrocarbazole compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-02-21 CN disclosed
CN-118652153-A Method for synthesizing organic nitrile compound from aldehyde 国科大杭州高等研究院 2024-09-17 CN disclosed
CN-114096551-B With A2A2-Benzylidene hydrazino adenosines with adenosine receptor agonistic activity 中国人民解放军军事科学院军事医学研究院 2024-08-13 CN disclosed
CN-114380817-B Benzimidazolo 2-amino-1, 3, 4-thiadiazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-06-21 CN disclosed
US-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation BAYER AKTIENGESELLSCHAFT (DE) 2024-04-23 US disclosed
EP-0010347-A1 Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-04-30 EP disclosed
US-4182774-A Method of inhibiting blood platelet aggregation with 2-amino-3-(5- and 6-)benzoylphenylacetic acids, esters and metal salts thereof A. H. ROBINS COMPANY, INCORPORATED (US) 1980-01-08 US disclosed
US-4126635-A ANTICHOLESTEROL, BLOOD PLATELET AGGREGATION INHIBITION A. H. ROBINS COMPANY, INCORPORATED (US) 1978-11-21 US disclosed
US-4112095-A 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazine hypotensive agents AMERICAN CYANAMID COMPANY (US) 1978-09-05 US disclosed
US-4063022-A GASTRIC ACID MORTON-NORWICH PRODUCTS, INC. (US) 1977-12-13 US disclosed
US-4045576-A ANTI-INFLAMMATORY METHODS USING 2-AMINO-3-(5- AND 6-)BENZOYLPHENYLACETIC ACIDS, ESTERS AND METAL SALTS THEREOF AND THE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-08-30 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 (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-12286432-B2 Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof FFAR3, FFAR2, FFAR1 ALDH1A1 1949/4885NPFFR1 17/4885NPFFR2 31/4885
US-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation DGKZ, DGKA, DGKG ALDH1A1 3985/4885NPFFR1 4427/4885NPFFR2 4231/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC ALDH1A1 4861/4885NPFFR1 1989/4885NPFFR2 3300/4885

“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.