SCHEMBL9965444

SCHEMBL9965444

CCC(C)(C)CC(C)(C)NC(=O)NC(C)(C)CC(C)(C)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
S1PR2 O95136 1/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 1/20 0.33
HPGD P15428 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL16173925 0.94 EPHX1 (0.47) EPHX1ALDH1A1GAAPOLBNAALAD2
SCHEMBL21727769 0.89 EPHX1 (0.38) EPHX1ALDH1A1GAAPOLBHTT
SCHEMBL16712825 0.84 PKM (0.34) EPHX1ALDH1A1POLBHTTHPGD
SCHEMBL17485867 0.82 EPHX1 (0.32) EPHX1ALDH1A1POLBHPGD
SCHEMBL11416809 0.82 EPHX1 (0.32) EPHX1ALDH1A1POLBHPGD
SCHEMBL2820709 0.79 EPHX1 (0.57) EPHX1ALDH1A1POLBNAALAD2HPGD
SCHEMBL6566836 0.77 EPHX1 (0.57) EPHX1ALDH1A1POLBNAALAD2HTT
SCHEMBL9762672 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL13435149 0.77 TGFBR1 (0.32)
SCHEMBL27266255 0.76 ALDH1A1 (0.43) ALDH1A1POLBNAALAD2LMNAHPGD

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-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 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-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK EPHX1 2553/4885ALDH1A1 4783/4885GAA 1670/4885

“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.