SCHEMBL5159944

SCHEMBL5159944

O=C(O)[C@H](O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.69
PNMT P11086 1/20 0.56
ACP3 P15309 2/20 0.55
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
PPARG P37231 3/20 0.48
SRD5A2 P31213 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46

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
SCHEMBL30213812 1.00 CES2 (0.69) CES2PNMTACP3LMNAMAPK1
SCHEMBL5159938 1.00 CES2 (0.69) CES2PNMTACP3LMNAMAPK1
SCHEMBL6674012 1.00 CES2 (0.69) CES2PNMTACP3LMNAMAPK1
SCHEMBL29658570 1.00 CES2 (0.69) CES2PNMTACP3LMNAMAPK1
SCHEMBL23972632 0.90 CES2 (0.57) CES2PNMTACP3LMNAMAPK1
SCHEMBL30604468 0.86 CES2 (0.54) CES2ACP3LMNAKDM4ESMN1; SMN2
SCHEMBL23972894 0.86 CES2 (0.54) CES2ACP3LMNAKDM4ESMN1; SMN2
SCHEMBL5527951 0.84 CES2 (0.67) CES2PNMTACP3IDO1TDO2
SCHEMBL29658610 0.84 CES2 (0.67) CES2PNMTACP3IDO1TDO2
SCHEMBL18952889 0.84 CES2 (0.57) CES2PNMTACP3KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040249220-A1 Process for producing optically active 2-alkoxy-1-(trifluoromethyl-substituted phenyl) ethanol derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2004-12-09 US claimed
WO-2004037760-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKOXY-1-(TRIFLUOROMETHYL-SUBSTITUTED PHENYL)ETHANOL DERIVATIVES CENTRAL GLASS COMPANY, LIMITED (JP) 2004-05-06 WO claimed
EP-4142874-B1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2026-04-22 EP disclosed
WO-2025242872-A1 1H-PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Apollo AP45 Limited (GB) 2025-11-27 WO disclosed
CN-115427409-B Pyrimidine-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2025-02-25 CN disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
EP-4142874-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RaQualia Pharma Inc. (JP) 2023-03-08 EP disclosed
CN-115427409-A Pyrimidin-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2022-12-02 CN disclosed
CN-109689667-B Porous chiral material and use thereof 南开大学 2022-07-12 CN disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 WO disclosed
WO-1993010074-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS BETA-3-ADRENOCEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 WO disclosed
US-4588749-A ANTIOBESITY AND HYPOGLYCEMIC AGENTS BEECHAM GROUP P.L.C. (GB) 1986-05-13 US disclosed
EP-0066351-B1 ARYLETHANOL AMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1985-06-26 EP disclosed
EP-0052963-B1 SECONDARY AMINES BEECHAM GROUP PLC (GB) 1985-02-20 EP disclosed
EP-0040000-B1 ARYLETHANOLAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1983-10-12 EP disclosed
US-4382958-A Secondary amines and compositions for treatment of hypoglycaemia or obesity BEECHAM GROUP LIMITED (GB) 1983-05-10 US disclosed
EP-0066351-A1 Arylethanol amine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1982-12-08 EP disclosed
EP-0052963-A1 Secondary amines BEECHAM GROUP PLC (GB) 1982-06-02 EP disclosed
EP-0040000-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-11-18 EP 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 (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-20040249220-A1 Process for producing optically active 2-alkoxy-1-(trifluoromethyl-substituted phenyl) ethanol derivatives ADH1A, ADH1C, ADH5 CES2 115/4885PNMT 245/4885ACP3 2546/4885
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 CES2 4819/4885PNMT 1811/4885ACP3 846/4885

“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.