SCHEMBL10028128

SCHEMBL10028128

c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)c4oc5ccc6c(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)c7oc8ccc3c4c8-c5c67)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.41
GPR84 Q9NQS5 2/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 1/20 0.40
MIF P14174 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PGR P06401 1/20 0.36
CYP1A2 P05177 5/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
FYN P06241 1/20 0.35
MAPK3 P27361 1/20 0.35
AHR P35869 1/20 0.35
PAX8 Q06710 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL10028124 0.84 CYP1A2 (0.43) GPR84CYP1A1CYP1B1CYP1A2ABCG2
SCHEMBL10028107 0.83 GSTP1 (0.44) GSTP1GPR84CYP1A1CYP1B1MIF
SCHEMBL10028141 0.79 CYP1A1 (0.43) GSTP1GPR84CYP1A1CYP1B1MIF
SCHEMBL5811792 0.79 GSTP1 (0.57) GSTP1GPR84CYP1A1CYP1B1MIF
SCHEMBL16801443 0.78 GSTP1 (0.42) GSTP1GPR84CYP1A1CYP1B1MIF
SCHEMBL18718011 0.76 GPR84 (0.44) GSTP1GPR84CYP1A1CYP1B1MIF
SCHEMBL10028130 0.76 HPGD (0.39) GPR84CYP1A1CYP1B1CYP1A2ABCG2
SCHEMBL10028120 0.75 MAOA (0.42) GPR84CYP1A1CYP1A2ABCG2FYN
SCHEMBL10028126 0.74 CYP1A2 (0.38) CYP1A1CYP1B1CYP1A2ABCG2FYN
SCHEMBL13229149 0.73 MAOB (0.46) GSTP1CYP1A1CYP1B1MIFALDH1A1

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 5 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-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
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
WO-2008011964-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-31 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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 GSTP1 1734/4885GPR84 4063/4885CYP1A1 751/4885

“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.