SCHEMBL13507601

SCHEMBL13507601

CN1c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc3c4c(ccc1c24)N(C)c1cc(-c2ccc4ccccc4c2)ccc1-3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.46
▸ GSTP1 P09211 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ HTR1D P28221 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ HSD11B1 P28845 1/20 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
SCHEMBL13508089 0.98 AKT1 (0.45) AKT1GSTP1ESR1ESR2ALOX5
SCHEMBL13507670 0.95 AKT1 (0.46) AKT1GSTP1ESR1ESR2ALOX5
SCHEMBL13507672 0.90 AKT1 (0.41) AKT1GSTP1ESR1ESR2ALOX5
SCHEMBL13507737 0.89 AKT1 (0.39) AKT1GSTP1ESR1ESR2ALOX5
SCHEMBL13507537 0.88 AKT1 (0.41) AKT1GSTP1ESR1ESR2HSD17B1
SCHEMBL13507540 0.88 AKT1 (0.41) AKT1ESR1ESR2CA1CA9
SCHEMBL13507709 0.86 AKT1 (0.41) AKT1GSTP1ESR1ESR2HSD17B1
SCHEMBL13511400 0.86 AKT1 (0.37) AKT1GSTP1ESR1ESR2ALOX5
SCHEMBL13507589 0.85 MEN1 (0.38) AKT1ALOX5ALDH1A1NPC1MAPT
SCHEMBL13507667 0.84 PTGS2 (0.43) AKT1GSTP1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — US disclosed
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — US 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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 AKT1 4084/4885GSTP1 1805/4885ESR1 622/4885

“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.

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