SCHEMBL13169481

SCHEMBL13169481

COC(=O)c1cccc(C2=NC(C(C)(C)C)CO2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CDK8 P49336 1/20 0.41
ERN1 O75460 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL15133910 1.00 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3NPC1
SCHEMBL15132509 0.86 NPC1 (0.43) NPC1CDK8
SCHEMBL1662304 0.85 ALDH1A1 (0.40) NPC1RAB9ACA12CA9CA1
SCHEMBL15132510 0.84 ROCK2 (0.42) NPC1RAB9AMEN1KMT2A
SCHEMBL14351835 0.81 NPC1 (0.57) NPC1RAB9A
SCHEMBL1660988 0.74 NPC1 (0.44) NPC1RAB9AMEN1KMT2A
SCHEMBL67941 0.72 CA12 (0.68) GABRG2GABRB3GABRA5GABRA3RAB9A
SCHEMBL27715902 0.70 CA12 (0.71) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL7827566 0.69 HRH3 (0.46) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL13044211 0.68 CA12 (0.56) GABRG2GABRB3GABRA5GABRA3CA12

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
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 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-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM GABRG2 1222/4885GABRB3 1785/4885GABRA5 1645/4885

“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.