SCHEMBL5319361

SCHEMBL5319361

CC(C)C(CO)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
TSHR P16473 5/20 0.49
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.49
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
SLC6A2 P23975 2/20 0.43
HTR2A P28223 2/20 0.43
ADRA1A P35348 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 2/20 0.43
SLC6A4 P31645 1/20 0.43
OPRK1 P41145 1/20 0.43
HPGD P15428 1/20 0.41

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
SCHEMBL5319355 1.00 TRPA1 (0.50) TRPA1TSHRKMT2ANPSR1GAA
SCHEMBL5269298 0.85 TRPA1 (0.47) TRPA1TSHRKMT2ANPSR1GAA
Bromide SCHEMBL7460112 0.84 TRPA1 (0.46) TRPA1TSHRKMT2ANPSR1GAA
SCHEMBL17559714 0.83 ADRA2B (0.55) TRPA1TSHRKMT2ANPSR1GAA
SCHEMBL17559717 0.83 ADRA2B (0.55) TRPA1TSHRKMT2ANPSR1GAA
SCHEMBL5197555 0.80 MEN1 (0.56) TRPA1KMT2AALDH1A1MEN1HPGD
SCHEMBL1834929 0.80 TSHR (0.51) TRPA1TSHRKMT2ANPSR1GAA
SCHEMBL1834931 0.80 TSHR (0.51) TRPA1TSHRKMT2ANPSR1GAA
SCHEMBL6054336 0.80 TSHR (0.51) TRPA1TSHRKMT2ANPSR1GAA
SCHEMBL22574770 0.79 LMNA (0.42) GAAADORA3RAB9ACA12CA9

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 10 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
EP-3737663-B1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIV COURT UNIV ST ANDREWS (GB) 2023-02-22 EP disclosed
CN-115068346-A Dental photocurable composition having excellent handling properties and storage stability 株式会社松风 2022-09-20 CN disclosed
CN-115068345-A Dental adhesive composition having excellent storage stability 株式会社松风 2022-09-20 CN 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
EP-1287006-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2007-10-24 EP disclosed
US-7138547-B2 Antitumoral compounds PHARMA MAR, S.A. 2006-11-21 US disclosed
US-20040048834-A1 Antitumoral compounds PHARMA MAR, S.A. (ES) 2004-03-11 US disclosed
EP-0288764-A1 Optically active alpha-amino aldehydes, processes for their preparation and their use in the stereoselective preparation of optically active beta-amino alcohols BAYER AG (DE) 1988-11-02 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 (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-20040048834-A1 Antitumoral compounds HCCS, MSR1, SUCNR1 TRPA1 4415/4885TSHR 193/4885KMT2A 2360/4885
US-12421200-B2 Manganese-catalysed hydrogenation of esters ADH5, HDHD5, ADH1A TRPA1 4233/4885TSHR 3132/4885KMT2A 575/4885
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A TRPA1 4233/4885TSHR 3132/4885KMT2A 575/4885

“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.