SCHEMBL13506945

SCHEMBL13506945

Cn1c2cc(-c3ccc4ccccc4c3)ccc2c2c3ccc4c(c3ccc21)c1ccc(-c2ccc3ccccc3c2)cc1n4C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.43
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GSTP1 P09211 1/20 0.37
▸ CYP17A1 P05093 1/20 0.37

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
SCHEMBL13507083 0.95 MAOB (0.45) HTR1DESR1ESR2RXRARXRB
SCHEMBL13507032 0.92 NQO2 (0.38) HTR1DESR1ESR2RXRARXRB
SCHEMBL13507085 0.89 RXRA (0.41) HTR1DESR1ESR2RXRARXRB
SCHEMBL13506847 0.89 RXRA (0.38) HTR1DESR1ESR2RXRARXRB
SCHEMBL13506862 0.88 MET (0.38) HTR1DESR1ESR2RXRARXRB
SCHEMBL13507734 0.86 LIMK1 (0.44) HTR1DESR1ESR2RXRARXRB
SCHEMBL13507562 0.85 MAOB (0.51) RXRARXRBMAOBNPC1RAB9A
SCHEMBL22661400 0.84 RXRA (0.50) RXRARXRBMAOBNPC1RAB9A
SCHEMBL13507850 0.84 LIMK1 (0.46) HTR1DESR1ESR2RXRARXRB
SCHEMBL13507586 0.84 HTR1D (0.36) HTR1DESR1ESR2RXRARXRB

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 HTR1D 1459/4885ESR1 622/4885ESR2 447/4885

“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.

Send feedback