SCHEMBL2157294

SCHEMBL2157294

CCOC(=O)C1CCCCN1C(=O)c1cnccc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
FKBP1A P62942 10/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.43
KDM4E B2RXH2 3/20 0.43
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
RAB9A P51151 1/20 0.42
MTOR P42345 1/20 0.41
FKBP4 Q02790 1/20 0.41
FKBP5 Q13451 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL13468059 0.84 TP53 (0.55) ALDH1A1FKBP1AMEN1KMT2ATSHR
SCHEMBL7946476 0.83 ALDH1A1 (0.56) ALDH1A1FKBP1AMEN1KMT2AGAA
SCHEMBL2157190 0.82 CA12 (0.44) GAAGALR3NR2F2RAB9A
SCHEMBL2157261 0.82 GAA (0.64) ALDH1A1FKBP1AMEN1KMT2AGAA
SCHEMBL20366865 0.81 ALDH1A1 (0.56) ALDH1A1FKBP1AMEN1KMT2ATSHR
SCHEMBL7954849 0.80 POLB (0.51) ALDH1A1FKBP1AMEN1KMT2ATSHR
SCHEMBL7589095 0.79 ALDH1A1 (0.52) ALDH1A1FKBP1AMEN1KMT2ATSHR
SCHEMBL4038706 0.78 GPR119 (0.46) ALDH1A1MEN1KMT2AGAA
SCHEMBL7954837 0.78 CYP2C19 (0.65) ALDH1A1FKBP1AMEN1KMT2ATSHR
SCHEMBL7946411 0.78 CYP2C19 (0.48) ALDH1A1FKBP1AMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 EP disclosed
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 US disclosed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 WO 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-20110184011-A1 Compounds COL1A1, ALDH1A2, COL2A1 ALDH1A1 74/4885FKBP1A 1140/4885MEN1 2252/4885

“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.