SCHEMBL2163754

SCHEMBL2163754

CCCCCCCCCCOc1ccc(CCC#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
S1PR4 O95977 2/20 0.48
S1PR1 P21453 2/20 0.48

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
SCHEMBL8019613 1.00 NR5A1 (0.53) NR5A1ALDH1A1MEN1USP2LMNA
SCHEMBL1542314 0.92 GAA (0.46) MEN1KMT2A
SCHEMBL1542271 0.92 GAA (0.46) MEN1KMT2A
SCHEMBL2164829 0.92 GAA (0.46) MEN1KMT2A
SCHEMBL1542340 0.92 GAA (0.46) MEN1KMT2A
SCHEMBL1541994 0.92 GAA (0.46) MEN1KMT2A
SCHEMBL1542531 0.92 GAA (0.46) MEN1KMT2A
SCHEMBL2163290 0.90 GAA (0.47) MEN1KMT2A
SCHEMBL28997422 0.89 ALDH1A1 (0.58) NR5A1ALDH1A1MEN1USP2LMNA
SCHEMBL10934403 0.89 ALDH1A1 (0.58) NR5A1ALDH1A1MEN1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M NR5A1 530/4885ALDH1A1 1855/4885MEN1 77/4885

“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.