SCHEMBL9519111

SCHEMBL9519111

CC(C)Cc1ccc([C@H](C)CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
ESR2 Q92731 1/20 0.55
PTGS1 P23219 4/20 0.55
PTGS2 P35354 4/20 0.55
ALOX5 P09917 3/20 0.55
LMNA P02545 2/20 0.55
CYP2C9 P11712 2/20 0.55
AKR1C3 P42330 2/20 0.55
CXCR1 P25024 2/20 0.55
CXCR2 P25025 2/20 0.55
ALB P02768 1/20 0.55
RARB P10826 1/20 0.55
ADRB3 P13945 1/20 0.55
NFKB1 P19838 1/20 0.55
HTR2A P28223 1/20 0.55
NR1I3 Q14994 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
CXCL8 P10145 1/20 0.55
TSHR P16473 1/20 0.55
AKR1C2 P52895 1/20 0.55

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
SCHEMBL9520092 1.00 ESR1 (0.55) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL545393 1.00 ESR1 (0.55) ESR1ESR2PTGS1PTGS2ALOX5
Sulfamate SCHEMBL9451526 0.88 EPHX1 (0.51) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL6680010 0.85 ESR1 (0.53) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL2641075 0.83 ABCB11 (0.52) ESR1ESR2CYP2C9TSHR
SCHEMBL27876016 0.81 PTGS1 (0.53) ESR1PTGS1PTGS2ALOX5LMNA
SCHEMBL11241173 0.79 ESR1 (0.52) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL9055850 0.78 FAAH (0.55) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL12327017 0.78 TAAR1 (0.56) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL28289491 0.78 PTGS1 (0.50) ESR1ESR2PTGS1PTGS2ALOX5

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421200-B2 Manganese-catalysed hydrogenation of esters UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2025-09-23 US disclosed
CN-120136669-A Manganese catalyzed ester hydrogenation 圣安德鲁斯大学董事会 2025-06-13 CN disclosed
EP-3737663-B1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIV COURT UNIV ST ANDREWS (GB) 2023-02-22 EP disclosed
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-02-25 US disclosed
EP-3737663-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS University Court of The University of St Andrews (GB) 2020-11-18 EP disclosed
CN-111587238-A Manganese catalyzed ester hydrogenation 圣安德鲁斯大学董事会 2020-08-25 CN disclosed
EP-0254354-B1 PHARMACEUTICALLY USEFUL DERIVATIVES OF THIAZOLIDINE-4-CARBOXYLIC ACID ZAMBON S.p.A. (IT) 1993-03-31 EP disclosed
US-4980291-A TRANSESTERIFICATION IN PRESENCE OF FREE OR IMMOBILIZED PSEUDOMONOS FLUORESCENS OR HYDROLASES ISTITUTO GUIDO DONEGANI S.P.A. (IT) 1990-12-25 US disclosed
EP-0328125-A2 Process for the enzymatic separation of the optical isomers of racemic alpha-alkyl-substituted primary alcohols ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1989-08-16 EP disclosed
US-4840936-A ANTIFLAMMATORY, ANALGESIC AGENT TO PREVENT ARRHYTHMIAS ZAMBON S.P.A. (IT) 1989-06-20 US disclosed
EP-0254354-A1 Pharmaceutically useful derivatives of thiazolidine-4-carboxylic acid ZAMBON S.p.A. (IT) 1988-01-27 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-12421200-B2 Manganese-catalysed hydrogenation of esters ADH5, HDHD5, ADH1A ESR1 1070/4885ESR2 923/4885PTGS1 4063/4885
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A ESR1 1070/4885ESR2 923/4885PTGS1 4063/4885

“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.