SCHEMBL16628542

SCHEMBL16628542

[c]1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
GSTP1 P09211 1/20 0.39
ALOX5 P09917 2/20 0.39
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
IKBKB O14920 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CA1 P00915 1/20 0.34

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
SCHEMBL28661608 0.87 ALOX5 (0.47) PDE9AESR1ESR2GSTP1ALOX5
SCHEMBL4895301 0.86 PDE9A (0.42) PDE9AESR1ESR2GSTP1ALOX5
SCHEMBL36279 0.83 ESR1 (0.52) PDE9AESR1ESR2GSTP1ALOX5
SCHEMBL29350362 0.83 ESR1 (0.52) PDE9AESR1ESR2GSTP1ALOX5
SCHEMBL2379728 0.83 ESR1 (0.52) PDE9AESR1ESR2GSTP1ALOX5
SCHEMBL25060858 0.81 ESR1 (0.50) PDE9AESR1ESR2GSTP1ALOX5
Methane SCHEMBL27979911 0.81 ESR1 (0.50) PDE9AESR1ESR2GSTP1ALOX5
SCHEMBL25566510 0.81 ESR1 (0.50) PDE9AESR1ESR2GSTP1ALOX5
SCHEMBL19467302 0.80 HSD17B1 (0.39) PDE9AESR1ESR2GSTP1ALOX5
SCHEMBL3867431 0.79 ESR1 (0.48) PDE9AESR1ESR2GSTP1ALOX5

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
EP-2860782-B1 Semiconducting material comprising a phosphine oxide matrix and metal salt NOVALED GMBH (DE) 2019-04-17 EP disclosed
US-10026902-B2 Semiconducting material comprising a phosphine oxide matrix and metal salt NOVALED GMBH (DE) 2018-07-17 US disclosed
EP-3055891-A1 SEMICONDUCTING MATERIAL COMPRISING A PHOSPHINE OXIDE MATRIX AND METAL SALT Novaled GmbH (DE) 2016-08-17 EP disclosed
US-20160211455-A1 Semiconducting Material Comprising a Phosphine Oxide Matrix and Metal Salt NOVALED GMBH (DE) 2016-07-21 US disclosed
EP-2860782-A1 Semiconducting material comprising a phosphine oxide matrix and metal salt Novaled GmbH (DE) 2015-04-15 EP 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-10026902-B2 Semiconducting material comprising a phosphine oxide matrix and metal salt PSPH, STMN1, STMN2 PDE9A 395/4885ESR1 2389/4885ESR2 3749/4885
US-20160211455-A1 Semiconducting Material Comprising a Phosphine Oxide Matrix and Metal Salt PSPH, STMN1, STMN2 PDE9A 521/4885ESR1 2012/4885ESR2 3562/4885

“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.