SCHEMBL22340706

SCHEMBL22340706

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.38
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NOS3 P29474 2/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34

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
SCHEMBL29268389 0.78 NPC1 (0.47) ALDH1A1NPC1MAPTRAB9A
SCHEMBL7730052 0.76 S100B (0.45) S100BALDH1A1NOS3NPC1MAPT
SCHEMBL22340701 0.71 TRPV1 (0.50) S100BALDH1A1NOS3HIF1AEPAS1
SCHEMBL20871290 0.70 ALOX15 (0.41) ALOX15ALDH1A1HIF1AEPAS1TRPV1
SCHEMBL18230848 0.70 ALDH1A1 (0.40) ALOX15ALDH1A1MAPT
SCHEMBL2502431 0.70 ALDH1A1 (0.40) ALOX15ALDH1A1MAPT
SCHEMBL20871189 0.70 ALOX15 (0.39) ALOX15ALDH1A1HIF1AEPAS1TRPV1
SCHEMBL15257175 0.69 ALOX15 (0.53) ALOX15ALDH1A1
SCHEMBL7884640 0.69 ALOX15 (0.53) ALOX15ALDH1A1
SCHEMBL3273714 0.69 ALOX15 (0.53) ALOX15ALDH1A1

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 S100B 3594/4885ALOX15 2525/4885ALDH1A1 179/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A S100B 3361/4885ALOX15 2449/4885ALDH1A1 182/4885

“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.