SCHEMBL2767752

SCHEMBL2767752

COc1ccccc1C(C#N)=C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSD P07339 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
STAT3 P40763 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 3/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL28190708 0.84 ALDH1A1 (0.47) KDM4EKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL29435252 0.79 KDM4E (0.46) KDM4EKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL11357634 0.79 KDM4E (0.46) KDM4EKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7308873 0.78 CTSD (0.43) KDM4EKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8527732 0.78 CTSD (0.43) KDM4EKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL9831434 0.76 CTSD (0.53) KDM4EKMT2AALDH1A1CTSDSTAT3
SCHEMBL27607926 0.76 CA1 (0.44) KDM4EKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL31093097 0.74 CA1 (0.52) CTSDCA1CA2CA12CA4
SCHEMBL1433789 0.74 CA1 (0.52) CTSDCA1CA2CA12CA4
SCHEMBL2770115 0.74 CA1 (0.52) CTSDCA1CA2CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824952-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-28 EP claimed
US-20080306170-A1 Organic Compounds GIVAUDAN SA (CH) 2008-12-11 US claimed
EP-1824952-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2007-08-29 EP claimed
WO-2006060931-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2006-06-15 WO claimed
US-9102899-B2 Organic compounds GIVAUDAN SA (CH) 2015-08-11 US disclosed
EP-1824952-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-28 EP disclosed
US-20080306170-A1 Organic Compounds GIVAUDAN SA (CH) 2008-12-11 US disclosed
EP-1824952-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2007-08-29 EP disclosed
WO-2006060931-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2006-06-15 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-20080306170-A1 Organic Compounds PNN, TRPA1, PAOX KDM4E 2158/4885KMT2A 1920/4885MEN1 3968/4885

“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.