SCHEMBL2768392

SCHEMBL2768392

COc1ccc(C(C#N)=C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ NQO2 P16083 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ CA1 P00915 4/20 0.45

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
SCHEMBL10011472 0.90 CES2 (0.52) MAPTNQO2NPSR1ALDH1A1KDM4E
SCHEMBL10011469 0.90 CES2 (0.52) MAPTNQO2NPSR1ALDH1A1KDM4E
SCHEMBL4998559 0.84 ESR2 (0.52) MAPTNQO2NPSR1ALDH1A1KDM4E
SCHEMBL4998557 0.84 ESR2 (0.52) MAPTNQO2NPSR1ALDH1A1KDM4E
SCHEMBL11761599 0.82 NQO2 (0.46) MAPTNQO2NPSR1ALDH1A1KDM4E
SCHEMBL12551512 0.82 ESR2 (0.55) MAPTNQO2NPSR1ALDH1A1KDM4E
SCHEMBL11761605 0.82 NQO2 (0.46) MAPTNQO2NPSR1ALDH1A1KDM4E
SCHEMBL18814678 0.82 MAPT (0.43) MAPTNQO2NPSR1ALDH1A1KDM4E
SCHEMBL11753641 0.81 NPSR1 (0.58) MAPTNQO2NPSR1ALDH1A1KDM4E
SCHEMBL29904847 0.81 NFE2L2 (0.48) MAPTNQO2NPSR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 2195/4885NQO2 1148/4885NPSR1 760/4885

“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.

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