SCHEMBL14115136

SCHEMBL14115136

CCC(C)NC(=O)c1ccc(C(=O)NC(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
RAB9A P51151 3/20 0.70
MAPK1 P28482 1/20 0.57
MLYCD O95822 1/20 0.56
HPGD P15428 4/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 5/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 2/20 0.52
NAMPT P43490 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ALPL P05186 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ACACB O00763 1/20 0.50

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
SCHEMBL15204487 0.87 ALDH1A1 (0.68) ALDH1A1RAB9AMAPK1MLYCDHPGD
SCHEMBL24175853 0.87 ALDH1A1 (0.68) ALDH1A1RAB9AMAPK1HPGDMEN1
SCHEMBL18896210 0.86 TAS1R3 (0.65) ALDH1A1RAB9AMAPK1LMNACYP1A2
SCHEMBL8590217 0.85 MLYCD (0.70) ALDH1A1RAB9AMLYCDHPGDLMNA
SCHEMBL17845261 0.85 ALDH1A1 (0.66) ALDH1A1RAB9AMAPK1HPGDLMNA
SCHEMBL24175872 0.85 HTT (0.72) ALDH1A1RAB9AMAPK1HPGDLMNA
SCHEMBL13767830 0.85 HTT (0.72) ALDH1A1RAB9AMAPK1HPGDLMNA
SCHEMBL29833379 0.85 ALDH1A1 (0.66) ALDH1A1RAB9AMAPK1HPGDLMNA
SCHEMBL24571817 0.85 ALDH1A1 (0.76) ALDH1A1RAB9AMAPK1MLYCDHPGD
SCHEMBL14117645 0.85 ALDH1A1 (0.66) ALDH1A1RAB9AMAPK1HPGDLMNA

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-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 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-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates BIRC5, XIAP, BAX ALDH1A1 3619/4885RAB9A 1476/4885MAPK1 795/4885

“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.