SCHEMBL14866005

SCHEMBL14866005

CC[C@H](O)[C@H](Cc1ccccc1)NC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.54
TRPA1 O75762 1/20 0.53
LMNA P02545 1/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
PAM P19021 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TACR1 P25103 1/20 0.47
BCHE P06276 1/20 0.46

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
SCHEMBL22626791 0.89 TRPA1 (0.54) CTRB1TRPA1NPC1RAB9ABCHE
SCHEMBL14865952 0.86 CTRB1 (0.53) CTRB1LMNACTSSCTSKPAM
SCHEMBL7270681 0.85 CTRB1 (0.58) CTRB1LMNACTSSCTSKPAM
SCHEMBL10031754 0.83 CTRB1 (0.50) CTRB1LMNACTSSCTSKPAM
SCHEMBL10031768 0.83 CTRB1 (0.50) CTRB1LMNACTSSCTSKPAM
SCHEMBL10031775 0.83 CTRB1 (0.50) CTRB1LMNACTSSCTSKPAM
SCHEMBL10031762 0.83 CTRB1 (0.50) CTRB1LMNACTSSCTSKPAM
SCHEMBL10031774 0.83 CTRB1 (0.50) CTRB1LMNACTSSCTSKPAM
SCHEMBL13328536 0.83 KLK5 (0.66) CTSSCTSK
SCHEMBL12751287 0.83 KLK5 (0.66) CTSSCTSK

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 2570/4885TRPA1 3026/4885LMNA 1141/4885

“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.