SCHEMBL12829337

SCHEMBL12829337

COc1ccc(O)c2cc(C(C)(C)C)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOB P27338 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
NQO2 P16083 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KLF5 Q13887 1/20 0.35

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
SCHEMBL12755285 0.86 KDM4E (0.51) HPGDKDM4EALDH1A1GAALMNA
SCHEMBL12755300 0.81 KDM4E (0.40) HPGDKDM4EALDH1A1GAAALOX15
SCHEMBL29763553 0.81 KDM4E (0.40) HPGDKDM4EALDH1A1GAAALOX15
SCHEMBL12755278 0.74 KDM4E (0.40) HPGDKDM4EALDH1A1TP53POLB
SCHEMBL29763525 0.74 HPGD (0.35) HPGDKDM4EALDH1A1NQO2
SCHEMBL12755274 0.70 ITK (0.45) HPGDKDM4EALDH1A1GAALMNA
SCHEMBL9653621 0.70 NQO2 (0.47) HPGDKDM4ELMNAHIF1AEPAS1
SCHEMBL9315424 0.67 HIF1A (0.43) HPGDKDM4EALDH1A1GAAALOX15
SCHEMBL23934130 0.67 MEN1 (0.50) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL420149 0.66 ALDH1A1 (0.59) HPGDALDH1A1GAAALOX15LMNA

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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 HPGD 3653/4885KDM4E 770/4885ALDH1A1 4739/4885

“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.