SCHEMBL19487256

SCHEMBL19487256

CN/C(=C/c1ccc(O)cc1)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 2/20 0.60
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTGS2 P35354 2/20 0.43
NQO2 P16083 1/20 0.43
PTGS1 P23219 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
TYR P14679 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
MAOB P27338 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
SCHEMBL14003229 0.82 RECQL (0.55) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL14003231 0.82 RECQL (0.55) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL8467373 0.78 KDM4E (0.72) ALDH1A1KDM4EESR1ESR2PTGS2
SCHEMBL17371339 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EESR1ESR2MEN1
SCHEMBL2026122 0.75 ALDH1A1 (1.00) ALDH1A1KDM4EESR1ESR2MEN1
SCHEMBL15272117 0.75 ALDH1A1 (0.69) ALDH1A1KDM4EESR1ESR2MEN1
SCHEMBL15272115 0.75 ALDH1A1 (0.69) ALDH1A1KDM4EESR1ESR2MEN1
SCHEMBL10739476 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EESR1ESR2MEN1
SCHEMBL10739481 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EESR1ESR2MEN1
Dimethylamine SCHEMBL5607765 0.73 AKR1C3 (0.62) ALDH1A1KDM4EESR1ESR2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298097-A1 Peptide Derivatives and Uses Thereof NOSOPHARM (FR) 2017-10-19 US 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 (1 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-20170298097-A1 Peptide Derivatives and Uses Thereof VIP, IAPP, NGLY1 ALDH1A1 4866/4885KDM4E 4532/4885ESR1 2448/4885

“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.