SCHEMBL10312506

SCHEMBL10312506

CC(=O)C1=C(NC(=O)CCc2ccc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 19/20 0.54
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.40
SLC6A2 P23975 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4548365 0.91 HCAR2 (0.53) HCAR2
SCHEMBL4548366 0.76 CA12 (0.49) KDM4ENPC1LMNATP53CYP1A2
SCHEMBL4548367 0.74 CA12 (0.47) HCAR2KDM4ENPC1LMNATP53
SCHEMBL10312513 0.73 HCAR2 (0.55) HCAR2LMNAMAPTSMN1; SMN2
SCHEMBL4556140 0.72 HCAR2 (0.77) HCAR2
SCHEMBL4548397 0.72 HCAR2 (0.60) HCAR2KDM4ELMNA
SCHEMBL4548410 0.71 HCAR2 (0.59) HCAR2
SCHEMBL4548310 0.71 HCAR2 (1.00) HCAR2
SCHEMBL4548311 0.70 HCAR2 (1.00) HCAR2
SCHEMBL4548309 0.70 HCAR2 (0.98) HCAR2

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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885KDM4E 4824/4885NPC1 19/4885

“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.