SCHEMBL111459

SCHEMBL111459

Nc1cc(F)c(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CA4 P22748 2/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
THRB P10828 1/20 0.30
KIF11 P52732 1/20 0.30

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
Bromide SCHEMBL31241400 0.97 CES2 (0.39) CES2CES1CA1CA2CA12
Iodide SCHEMBL30689240 0.97 CES2 (0.39) CES2CES1CA1CA2CA12
SCHEMBL5515689 0.84 ALDH1A1 (0.36) CES2CES1CA1CA2CA12
SCHEMBL15573666 0.80 GAA (0.50) CA1CA2CA12CA7CA13
SCHEMBL30005190 0.80 CYP3A4 (0.50) CA1CA2CA12CA7CA13
SCHEMBL29621743 0.80 GAA (0.50) CA1CA2CA12CA7CA13
SCHEMBL18373638 0.80 CA1 (0.33) CA1CA2CA12CA7CA13
SCHEMBL5511737 0.80 CA1 (0.36) CES2CES1CA1CA2CA12
SCHEMBL15573628 0.80 ALDH1A1 (0.41) CA1CA2CA12CA7CA13
SCHEMBL720468 0.80 CYP3A4 (0.50) CA1CA2CA12CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015369-A1 PEROVSKITE SYSTEM INCLUDING ANILINIUM-BASED LIGANDS AND RELATED PEROVSKITE SOLAR CELL THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2026-01-15 US claimed
CN-119798091-A Preparation process of 3,4, 5-trifluoroaniline 江苏丰山生化科技有限公司 2025-04-11 CN claimed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
CN-119684813-A Azo dichroism dye and preparation method and application thereof 苏州苏凯路化学科技有限公司 2025-03-25 CN claimed
CN-119546047-A Preparation method of efficient stable perovskite solar cell combining ionic compound interface modification and polymer material external encapsulation 西北工业大学 2025-02-28 CN claimed
CN-118754797-B Synthesis method of 3,4, 5-trifluoro-bromobenzene 台州鸿都生物科技有限公司 2025-01-24 CN claimed
EP-3796409-B1 ELECTROLUMINESCENT DEVICE, AND DISPLAY DEVICE COMPRISING SAME SAMSUNG ELECTRONICS CO LTD (KR) 2025-01-15 EP claimed
CN-119264191-A Preparation method and application of quinoline nickel pyridine precatalyst 山西大学 2025-01-07 CN claimed
CN-116410106-B Benzamide HBV capsid protein inhibitor and preparation method and application thereof 山东第二医科大学 2024-12-06 CN claimed
CN-118637975-B Synthesis method of 3,4, 5-trifluoro-bromobenzene 山东国邦药业有限公司 2024-11-22 CN claimed
EP-3931197-A1 PROCESS FOR THE PREPARATION OF (6S)-3-[(4S)-4-CYANO-2-OXO-PYRROLIDIN-1-YL]-6-METHYL-N-(3,4,5-TRIFLUOROPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE-5-CARBOXAMIDE F. Hoffmann-La Roche AG (CH) 2022-01-05 EP claimed
CN-113454088-A Process for the preparation of (6S) -3- [ (4S) -4-cyano-2-oxo-pyrrolidin-1-yl ] -6-methyl-N- (3,4, 5-trifluorophenyl) -6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazine-5-carboxamide 豪夫迈·罗氏有限公司 2021-09-28 CN claimed
CN-113200956-A Sulfabenzamide derivative and preparation method and application thereof 潍坊医学院 2021-08-03 CN claimed
CN-112827368-A Anti-pollution reverse osmosis membrane and preparation method thereof 中化(宁波)润沃膜科技有限公司 2021-05-25 CN claimed
CN-108947850-B Preparation method of 3,4, 5-trifluoroaniline 蚌埠中实化学技术有限公司 2021-05-18 CN claimed
US-20170283366-A1 Benzoquinone Derivatives For Treatment Of Cancer And Methods Of Making The Benzoquinone Derivatives UNITED ARAB EMIRATES UNIVERSITY (AE) 2017-10-05 US claimed
CN-103204962-A Long-chain branched isotatic polypropylene and preparation method thereof CHINESE ACAD INST CHEMISTRY 2013-07-17 CN claimed
CN-101891851-A Method for preparing long chain branching isotactic polypropylene CHINESE ACAD INST CHEMISTRY 2010-11-24 CN claimed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 US claimed

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-20260015369-A1 PEROVSKITE SYSTEM INCLUDING ANILINIUM-BASED LIGANDS AND RELATED PEROVSKITE SOLAR CELL BMX, ITGB3, TSNAX CES2 1384/4885CES1 3502/4885CA1 730/4885
US-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 CES2 1167/4885CES1 115/4885CA1 461/4885
US-20170283366-A1 Benzoquinone Derivatives For Treatment Of Cancer And Methods Of Making The Benzoquinone Derivatives BRCA1, BBOX1, KMO CES2 3951/4885CES1 2171/4885CA1 4280/4885

“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.