SCHEMBL1490629

SCHEMBL1490629

C=CC(O)C#Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.36
FFAR1 O14842 1/20 0.35
IDO1 P14902 1/20 0.35
CYP1A2 P05177 1/20 0.34
THPO P40225 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
SCHEMBL6122387 0.76 MAPT (0.41) APPMAPTALDH1A1HPGDLMNA
SCHEMBL1490932 0.76 APP (0.39) APPMAPTALDH1A1HPGDALOX15
SCHEMBL28900542 0.76 APP (0.50) APPMAPTALDH1A1HPGDLMNA
SCHEMBL18105076 0.75 APP (0.55) APPMAPTALDH1A1HPGDLMNA
SCHEMBL19062293 0.75 APP (0.55) APPMAPTALDH1A1HPGDLMNA
SCHEMBL23024694 0.75 KMT2A (0.49) APPMAPTALDH1A1HPGDLMNA
SCHEMBL2685968 0.75 FFAR1 (0.43) APPMAPTALDH1A1LMNAKMT2A
SCHEMBL731332 0.75 KMT2A (0.49) APPMAPTALDH1A1HPGDLMNA
SCHEMBL11211944 0.75 APP (0.39) APPMAPTALDH1A1HPGDLMNA
SCHEMBL2685967 0.75 FFAR1 (0.43) APPMAPTALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
EP-2477698-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES Centre National de la Recherche Scientifique (FR) 2012-07-25 EP disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO 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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB APP 4857/4885MAPT 4863/4885ALDH1A1 1763/4885

“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.