SCHEMBL4584155

SCHEMBL4584155

c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.50
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
ALOX5 P09917 2/20 0.44
GPR84 Q9NQS5 1/20 0.44
CYP1A2 P05177 3/20 0.43
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SOS1 Q07889 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
PDE9A O76083 1/20 0.42
IKBKB O14920 1/20 0.41
CYP17A1 P05093 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
SCHEMBL19547607 0.98 GSTP1 (0.48) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL25634493 0.94 HDAC4 (0.49) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL29350362 0.91 ESR1 (0.52) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL2379728 0.91 ESR1 (0.52) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL36279 0.91 ESR1 (0.52) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL536536 0.90 PIM1 (0.47) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL29350427 0.90 PIM1 (0.47) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL15366918 0.89 ESR1 (0.43) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL26750845 0.89 GSTP1 (0.42) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL25060858 0.89 ESR1 (0.50) GSTP1HDAC4HDAC2HDAC8ESR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230180596-A1 Novel Compound and Organic Light Emitting Device Comprising the Same LG CHEM, LTD. (KR) 2023-06-08 US disclosed
EP-1957606-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINIESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-08 EP disclosed
US-9017825-B2 Anthracene derivatives and their use in organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-04-28 US disclosed
US-20080303423-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
EP-1957606-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINIESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP disclosed
WO-2007065678-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINIESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 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 (2 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-20230180596-A1 Novel Compound and Organic Light Emitting Device Comprising the Same CRY1, CRY2, CYBA GSTP1 513/4885HDAC4 4491/4885HDAC2 3003/4885
US-20080303423-A1 Novel Materials For Organic Electroluminescent Devices ANXA2, ANXA7, ANXA1 GSTP1 1769/4885HDAC4 3944/4885HDAC2 3289/4885

“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.