SCHEMBL14865952

SCHEMBL14865952

CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.53
LMNA P02545 1/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PAM P19021 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TACR1 P25103 1/20 0.46
BCHE P06276 1/20 0.45
CTSD P07339 1/20 0.45
CTSE P14091 1/20 0.45
PGC P20142 1/20 0.45

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
SCHEMBL12783525 0.87 ENPP2 (0.53)
SCHEMBL2712694 0.87 BACE1 (0.47) NPC1RAB9ABCHE
SCHEMBL6944942 0.87 BACE1 (0.47) NPC1RAB9ABCHE
SCHEMBL2712697 0.87 BACE1 (0.47) NPC1RAB9ABCHE
SCHEMBL6944939 0.87 BACE1 (0.47) NPC1RAB9ABCHE
SCHEMBL6944317 0.87 BACE1 (0.47) NPC1RAB9ABCHE
SCHEMBL10707926 0.87 BACE1 (0.47) NPC1RAB9ABCHE
SCHEMBL12783725 0.86 ACACB (0.50) CTRB1LMNATACR1CTSD
SCHEMBL14866005 0.86 CTRB1 (0.54) CTRB1LMNACTSSCTSKPAM
SCHEMBL7492515 0.85 KLK5 (0.51) NPC1RAB9ABCHE

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-20130096317-A1 REDUCTION OF ALDEHYDES AND KETONES TO ALCOHOLS GEORGIA TECH RESEARCH CORPORATION (US) 2013-04-18 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-20130096317-A1 REDUCTION OF ALDEHYDES AND KETONES TO ALCOHOLS POF1B, PHF2, ADH1C CTRB1 2570/4885LMNA 1141/4885CTSS 4614/4885

“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.