SCHEMBL1234337

SCHEMBL1234337

c1ccc2cc(-c3cccc4cc5c(ccc6c(-c7ccc8ccccc8c7)cccc65)cc34)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1B1 Q16678 2/20 0.48
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
GPR84 Q9NQS5 1/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPRT1 P00492 1/20 0.41
ESR2 Q92731 2/20 0.41
ESR1 P03372 1/20 0.41
MCL1 Q07820 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TLR8 Q9NR97 1/20 0.41

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
SCHEMBL29451176 0.90 GSTP1 (0.55) GSTP1ALDH1A1HIF1AHSD17B10CYP1B1
Anthracene SCHEMBL27770411 0.90 GSTP1 (0.55) GSTP1ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL1041948 0.90 GSTP1 (0.55) GSTP1ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL797787 0.89 GSTP1 (0.48) GSTP1ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL6691189 0.89 GSTP1 (0.53) GSTP1ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL27889944 0.89 GSTP1 (0.53) GSTP1ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL4444809 0.89 HPRT1 (0.56) GSTP1ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL2995209 0.89 ALDH1A1 (0.52) GSTP1ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL28341419 0.88 GSTP1 (0.52) GSTP1ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL3176171 0.88 GSTP1 (0.61) GSTP1ALDH1A1HIF1AHSD17B10HDAC4

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-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US disclosed
WO-2011012212-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-02-03 WO 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-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MYB, L1CAM, SLC25A21 GSTP1 2624/4885ALDH1A1 507/4885HIF1A 4133/4885

“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.