Sugi Predict

Sugi Predict / Compounds / SCHEMBL72091

SCHEMBL72091

SCHEMBL72091

CC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.67
▸ CES1 P23141 2/20 0.67
▸ MAOB P27338 3/20 0.64
▸ NR4A1 P22736 1/20 0.60
▸ NR4A2 P43354 1/20 0.60
▸ NR4A3 Q92570 1/20 0.60
▸ SRD5A2 P31213 1/20 0.57
▸ GSK3B P49841 2/20 0.55
▸ PTPN1 P18031 2/20 0.55
▸ AKR1C3 P42330 1/20 0.53
▸ AKR1C2 P52895 1/20 0.53
▸ TRPV1 Q8NER1 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ KIF11 P52732 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL4835788 0.94 CES2 (0.59) CES2CES1MAOBNR4A1NR4A2
Acetaldehyde SCHEMBL5737539 0.92 NR4A1 (0.62) CES2CES1MAOBNR4A1NR4A2
Acetohydroxamic Acid SCHEMBL28835694 0.90 MAOB (0.55) CES2CES1MAOBNR4A1NR4A2
SCHEMBL3368661 0.88 MAPT (0.70) CES2CES1MAOBNR4A1NR4A2
SCHEMBL18806569 0.88 MAPT (0.61) CES2CES1MAOBNR4A1NR4A2
SCHEMBL2610303 0.88 KMT2A (0.70) CES2CES1MAOBNR4A1NR4A2
Toluene SCHEMBL28101326 0.87 NR4A1 (0.53) CES2CES1MAOBNR4A1NR4A2
SCHEMBL2610298 0.87 CES2 (0.59) CES2CES1MAOBNR4A1NR4A2
SCHEMBL2610300 0.87 CES2 (0.54) CES2CES1MAOBNR4A1NR4A2
Acetoacetic Acid SCHEMBL27781351 0.85 MAOB (0.55) CES2CES1MAOBNR4A1NR4A2

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 1639 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119926191-B Conjugated microporous organic solvent-resistant nanofiltration composite membrane and preparation method and application thereof 中山大学 2025-06-13 — — CN claimed
CN-119926191-A Conjugated microporous organic solvent-resistant nanofiltration composite membrane and preparation method and application thereof 中山大学 2025-05-06 — — CN claimed
CN-119875052-A Ion polymer based on flexible main chain, anion exchange membrane and preparation method thereof 武汉轻工大学 2025-04-25 — — CN claimed
US-20250008950-A1 BIOCIDE COMPOSITIONS BASF SE (DE) 2025-01-09 — — US claimed
CN-119080599-A Nonlinear optical crystal materials TFEOC and TFPOC, and preparation method and application thereof 青岛大学 2024-12-06 — — CN claimed
EP-4440307-A1 BIOCIDE COMPOSITIONS BASF SE (DE) 2024-10-09 — — EP claimed
CN-118459420-A Thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 — — CN claimed
CN-118459422-A Thiazole thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 — — CN claimed
CN-118389462-A Fusion enzyme of alcohol dehydrogenase and transaminase, coding gene, engineering bacteria and application 江西中医药大学 2024-07-26 — — CN claimed
CN-113584090-B Biological preparation method of chemokine CCR 5 antagonist AD101 chiral intermediate 浙江工业大学 2024-07-19 — — CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 — — US claimed
US-8815940-B2 Coumarin-chalcones as anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-26 — — US claimed
EP-2697227-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2014-02-19 — — EP claimed
US-20130210909-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-08-15 — — US claimed
WO-2012142237-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS NEWLINK GENETICKS CORPORATION (US) 2012-10-18 — — WO claimed
US-7081551-B2 Optically active (R)-1-(4-trifluoromethylphenyl)ethylamine CENTRAL GLASS CO., LTD. (JP) 2006-07-25 — — US claimed
US-20040191880-A1 Method for the enentioselective reduction of a prochiral aromatic ketone comprising at least one trifluoromethyl group on the aromatic cycle RHODA CHIMIE (FR) 2004-09-30 — — US claimed
EP-1409704-A2 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF A PROCHIRAL AROMATIC KETONE COMPRISING AT LEAST ONE TRIFLUOROMETHYL GROUP ON THE AROMATIC CYCLE RHODIA CHIMIE (FR) 2004-04-21 — — EP claimed
US-20040024253-A1 Optically active (R)-1- (4-trifluoromethylphenyl) ethylamine CENTRAL GLASS COMPANY, LIMITED (JP) 2004-02-05 — — US claimed
WO-2003004666-A2 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF A PROCHIRAL AROMATIC KETONE COMPRISING AT LEAST ONE TRIFLUOROMETHYL GROUP ON THE AROMATIC CYCLE RHODIA CHIMIE (FR) 2003-01-16 — — WO 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 (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-20040024253-A1 Optically active (R)-1- (4-trifluoromethylphenyl) ethylamine HPD, ALDH1A2, DHPS CES2 1947/4885CES1 101/4885MAOB 275/4885
US-20130210909-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS HCCS, XPO5, CIAPIN1 CES2 1445/4885CES1 482/4885MAOB 4231/4885

“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.