SCHEMBL14025830

SCHEMBL14025830

COC(=O)c1[nH]c(-c2ccc(OC)cc2)c(C)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 2/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43

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
SCHEMBL14025824 0.89 KDM4E (0.52) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL20568351 0.88 LMNA (0.49) LMNAALDH1A1MAPTTP53MEN1
SCHEMBL23327435 0.84 LMNA (0.48) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL689380 0.82 KMT2A (0.41) LMNAALDH1A1MAPTTP53MEN1
SCHEMBL20568162 0.82 LMNA (0.45) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL20570081 0.78 LMNA (0.40) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL13596757 0.78 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL20568130 0.77 LMNA (0.48) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL14025831 0.77 NPC1 (0.44) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL13596758 0.76 HDAC6 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262073-A1 Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (CNIO) (ES) 2008-10-23 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 (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-20080262073-A1 Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity HDAC1, HDAC11, HDAC5 LMNA 2832/4885ALDH1A1 469/4885MAPT 3317/4885

“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.