SCHEMBL10028229

SCHEMBL10028229

Nc1ccc2c(-c3c(O)ccc4cc(N)ccc34)c(O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.59
CYP3A4 P08684 6/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 4/20 0.53
HSD17B1 P14061 4/20 0.53
HSD17B2 P37059 4/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2B6 P20813 3/20 0.53
CTDSP1 Q9GZU7 1/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
PDE10A Q9Y233 1/20 0.45
NSD2 O96028 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
CASP6 P55212 1/20 0.44
PTPN11 Q06124 1/20 0.44
NT5E P21589 1/20 0.44
ESR1 P03372 1/20 0.43

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
SCHEMBL12023092 0.85 PLAU (0.45) PLAUCYP3A4CYP2C9CYP2C19HSD17B1
SCHEMBL9572324 0.83 PLAU (0.59) PLAUCYP3A4CYP2C9CYP2C19HSD17B1
SCHEMBL28574517 0.83 PLAU (0.59) PLAUCYP3A4CYP2C9CYP2C19HSD17B1
SCHEMBL27609200 0.79 ESR1 (0.58) PLAUCYP3A4CYP2C9CYP2C19HSD17B1
SCHEMBL4670540 0.79 ESR1 (0.58) PLAUCYP3A4CYP2C9CYP2C19HSD17B1
SCHEMBL15274959 0.79 PLAU (0.40) PLAUCYP3A4CYP2C9CYP2C19HSD17B1
SCHEMBL2445157 0.78 ALDH1A1 (0.57) PLAUCYP3A4CTDSP1NSD2DUSP3
SCHEMBL8777376 0.77 HSD17B1 (0.56) CYP3A4CYP2C9CYP2C19HSD17B1HSD17B2
SCHEMBL8121539 0.76 ALDH1A1 (0.55) PLAUCYP3A4CTDSP1NSD2DUSP3
SCHEMBL3871771 0.75 KDM4E (0.52) PLAUCYP3A4CYP2C9CYP2C19HSD17B1

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-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 PLAU 3665/4885CYP3A4 1649/4885CYP2C9 916/4885

“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.