SCHEMBL13008784

SCHEMBL13008784

c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccc(N4c5ccccc5Cc5ccccc54)cc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccc(N4c5ccccc5Cc5ccccc54)cc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.36
HSD17B2 P37059 4/20 0.36
MET P08581 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2B6 P20813 2/20 0.32
HPGD P15428 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HTR3A P46098 1/20 0.31

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
SCHEMBL13426982 1.00 HSD17B1 (0.36) HSD17B1HSD17B2METHSP90AA1CYP1A2
SCHEMBL13426965 0.98 HSD17B1 (0.35) HSD17B1HSD17B2METHSP90AA1CYP1A2
SCHEMBL13009318 0.95 ESR1 (0.35) HSD17B1HSD17B2METHSP90AA1CYP1A2
SCHEMBL13009390 0.95 HSP90AA1 (0.36) HSD17B1HSD17B2METHSP90AA1CYP1A2
SCHEMBL13008985 0.95 HSP90AA1 (0.36) HSD17B1HSD17B2METHSP90AA1CYP1A2
SCHEMBL13009395 0.94 HPGD (0.35) HSD17B1HSD17B2METHSP90AA1CYP1A2
SCHEMBL13426994 0.94 ESR1 (0.36) HSD17B1HSD17B2METHSP90AA1CYP1A2
SCHEMBL13008787 0.94 HPGD (0.35) HSD17B1HSD17B2METHSP90AA1CYP1A2
SCHEMBL13009236 0.94 HSP90AA1 (0.35) METHSP90AA1CYP1A2CYP2C9CYP2C19
SCHEMBL13428153 0.93 CYP1A2 (0.36) HSD17B1HSD17B2METHSP90AA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256176-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-12-01 EP disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 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-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same RPL36, RPL39, RPL36A HSD17B1 3663/4885HSD17B2 3335/4885MET 3253/4885

“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.