SCHEMBL2876314

SCHEMBL2876314

O=c1cc(-c2ccc3ccccc3c2)cc[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.66
GSTP1 P09211 1/20 0.52
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALOX5 P09917 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NPC1 O15118 1/20 0.43
ACMSD Q8TDX5 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL6042142 0.81 NOTUM (0.77) NOTUMNSD2ABL1PPARGRIN1
SCHEMBL1136802 0.79 NOTUM (1.00) NOTUMHDAC4HDAC2HDAC8NPC1
SCHEMBL3283021 0.76 NOTUM (0.50) NOTUMNPC1CYP1A2MAP4K4
SCHEMBL15902840 0.76 ESR1 (0.71) GSTP1ESR1ESR2ALOX5CA1
SCHEMBL30239993 0.76 ESR1 (0.71) GSTP1ESR1ESR2ALOX5CA1
SCHEMBL30603836 0.76 ESR1 (0.71) GSTP1ESR1ESR2ALOX5CA1
SCHEMBL5013872 0.76 ESR1 (0.71) GSTP1ESR1ESR2ALOX5CA1
SCHEMBL239121 0.76 ESR1 (0.71) GSTP1ESR1ESR2ALOX5CA1
SCHEMBL30239998 0.76 ESR1 (0.71) GSTP1ESR1ESR2ALOX5CA1
SCHEMBL7084471 0.74 NPC1 (0.58) GSTP1ESR1ESR2ALOX5CA1

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-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R NOTUM 1612/4885GSTP1 4344/4885ESR1 528/4885

“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.