SCHEMBL13523398

SCHEMBL13523398

Ic1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.54
ESR2 Q92731 3/20 0.54
ALOX5 P09917 1/20 0.52
HSD17B1 P14061 2/20 0.50
HSD17B2 P37059 2/20 0.50
GSTP1 P09211 1/20 0.48
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
ACMSD Q8TDX5 1/20 0.43

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
SCHEMBL22560718 0.94 ESR1 (0.53) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL20081046 0.90 HSD17B1 (0.55) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL7905146 0.88 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL24090349 0.87 HSD17B1 (0.57) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL25726553 0.86 CYP2A6 (0.47) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL21973907 0.86 CYP1A2 (0.53) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL23233533 0.86 HSD17B1 (0.52) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL23008353 0.85 ESR1 (0.53) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL13445412 0.84 HSD17B1 (0.59) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL31232540 0.84 HSD17B1 (0.59) ESR1ESR2ALOX5HSD17B1HSD17B2

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-20100001635-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-01-07 US disclosed
EP-2108690-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 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 (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-20100001635-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, ILF2, L1CAM ESR1 737/4885ESR2 489/4885ALOX5 294/4885

“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.