SCHEMBL291173

SCHEMBL291173

[c]1c(-c2ccc3ccccc3c2)ccc2cc3ccccc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALOX5 P09917 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CYP1A2 P05177 4/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL2459864 0.96 ESR1 (0.38) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL292658 0.86 ALDH1A1 (0.34) GSTP1ESR1ESR2HSD17B1HSD17B2
SCHEMBL1719526 0.86 GSTP1 (0.44) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL4216130 0.85 ESR1 (0.38) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL2152944 0.84 TDP1 (0.44) GSTP1CYP1A2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3089094 0.79 HSD17B1 (0.50) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL4718441 0.74 CYP3A4 (0.33) CYP1A2SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL328771 0.74 CYP2A6 (0.43) GSTP1ESR1ESR2CYP1A2SMN1; SMN2
SCHEMBL29104462 0.73 HSD17B1 (0.44) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL160792 0.73 GSTP1 (0.42) GSTP1ESR1ESR2ALOX5HSD17B1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 US claimed
EP-2307520-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2015-11-11 EP claimed
US-9066410-B2 Organic electronic device MERCK PATENT GMBH (DE) 2015-06-23 US claimed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 US claimed
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 EP claimed
JP-2011528324-A 2011-11-17 JP claimed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US claimed
EP-2307520-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2011-04-13 EP claimed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 US claimed
EP-2260023-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2010-12-15 EP claimed
WO-2010094378-A1 ORGANIC ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2010-08-26 WO claimed
WO-2010006680-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-01-21 WO claimed
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 WO claimed
EP-3211058-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 WO disclosed
EP-3211058-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2017-08-30 EP disclosed
EP-2038370-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2009-03-25 EP disclosed
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 WO disclosed
US-20080193797-A1 Novel Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
WO-2008006449-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-17 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 (4 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-20080193797-A1 Novel Materials for Organic Electroluminescent Devices SLC40A1, SLC67A1, SLC29A1 GSTP1 1764/4885ESR1 493/4885ESR2 677/4885
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 GSTP1 2452/4885ESR1 79/4885ESR2 159/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 GSTP1 2452/4885ESR1 79/4885ESR2 159/4885
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 GSTP1 2603/4885ESR1 36/4885ESR2 198/4885

“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.