SCHEMBL13676239

SCHEMBL13676239

CC(C)(C)c1ccc(/C(=C/C=O)c2ccc(CF)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.43
NR1H4 Q96RI1 8/20 0.43
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ESRRG P62508 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR4A2 P43354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
HDAC1 Q13547 1/20 0.39
ESRRB O95718 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL28031837 0.87 HDAC1 (0.48) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL25356153 0.79 HDAC1 (0.46) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL15508523 0.77 TSHR (0.48) EPHX2NR1H4TP53TSHR
SCHEMBL28032403 0.72 ALDH1A1 (0.52) RXRARXRBALDH1A1HTT
SCHEMBL5800200 0.71 HDAC1 (0.47) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL27885381 0.71 HDAC1 (0.47) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL28609678 0.69 HDAC1 (0.46) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL13676268 0.69 HDAC1 (0.46) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL28031818 0.69 HDAC3 (0.47) HDAC3HDAC6
SCHEMBL9003485 0.68 HDAC1 (0.44) EPHX2NR1H4TP53HDAC3HDAC8

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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 EPHX2 4360/4885NR1H4 290/4885TP53 1958/4885

“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.