SCHEMBL22340701

SCHEMBL22340701

COc1ccc(/N=C/C=C(\C)CCC=C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
ALDH1A1 P00352 1/20 0.42
S100B P04271 1/20 0.42
NOS3 P29474 2/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
OPRD1 P41143 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 3/20 0.39
APP P05067 1/20 0.39
BCHE P06276 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL12432939 0.82 NOS3 (0.50) ALDH1A1S100BNOS3KMT2ALMNA
SCHEMBL20871784 0.78 S100B (0.39) TRPV1ALDH1A1S100BNOS3KMT2A
SCHEMBL9640860 0.74 CA12 (0.55) ALDH1A1S100BNOS3KMT2A
SCHEMBL12617752 0.74 CA12 (0.55) ALDH1A1S100BNOS3KMT2A
SCHEMBL12616347 0.74 CA12 (0.55) ALDH1A1S100BNOS3KMT2A
SCHEMBL3093198 0.74 TRPV1 (0.61) TRPV1PPARGPPARAALDH1A1KMT2A
SCHEMBL806714 0.74 TRPV1 (0.61) TRPV1PPARGPPARAALDH1A1KMT2A
SCHEMBL26500821 0.73 TRPV1 (0.56) TRPV1PPARGPPARAALDH1A1
SCHEMBL5074207 0.72 TRPV1 (0.52) TRPV1PPARGPPARAALDH1A1HIF1A
SCHEMBL5074201 0.72 TRPV1 (0.52) TRPV1PPARGPPARAALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines Universite Paris-Saclay (FR) 2021-06-15 US disclosed
US-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES Universite Paris-Saclay (FR) 2020-08-13 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 (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-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES ADH1C, ADH1A, ADH5 TRPV1 4808/4885PPARG 4412/4885PPARA 4232/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A TRPV1 4853/4885PPARG 4458/4885PPARA 4318/4885

“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.