SCHEMBL2999433

SCHEMBL2999433

COC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)NC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
PKM P14618 1/20 0.57
MAOB P27338 3/20 0.53
MAOA P21397 1/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
BCHE P06276 1/20 0.51
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
LCK P06239 1/20 0.48
HIF1A Q16665 1/20 0.47

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
SCHEMBL13243557 1.00 KDM4E (0.57) KDM4EALDH1A1PKMMAOBMAOA
SCHEMBL2999434 1.00 KDM4E (0.57) KDM4EALDH1A1PKMMAOBMAOA
SCHEMBL13243569 0.90 ALDH1A1 (0.56) KDM4EALDH1A1PKMMAOBMAOA
SCHEMBL2764237 0.85 KDM4E (0.61) KDM4EALDH1A1PKMMAOBMAOA
SCHEMBL6510265 0.83 KDM4E (0.56) KDM4EALDH1A1PKMMAOBMAOA
SCHEMBL6510268 0.83 KDM4E (0.56) KDM4EALDH1A1PKMMAOBMAOA
SCHEMBL5377337 0.83 KDM4E (0.59) KDM4EALDH1A1PKMMAOBMAOA
SCHEMBL5377339 0.83 KDM4E (0.59) KDM4EALDH1A1PKMMAOBMAOA
SCHEMBL13266738 0.82 CYP3A4 (0.50) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2086974 0.81 MEN1 (0.51) ALDH1A1MEN1KMT2AHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100172916-A1 SUBSTITUTED HYDROXYPHENYLAMINE COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2010-07-08 US disclosed
WO-2010054286-A2 SUBSTITUTED HYDROXYPHENYLAMINE COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-14 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-20100172916-A1 SUBSTITUTED HYDROXYPHENYLAMINE COMPOUNDS MC1R, TYR, MITF KDM4E 2151/4885ALDH1A1 554/4885PKM 553/4885

“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.