SCHEMBL13487331

SCHEMBL13487331

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PIM1 P11309 1/20 0.34
ACACA Q13085 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 2/20 0.31
TP53 P04637 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL13487133 0.94 MEN1 (0.35) ACACAKDM4EMEN1KMT2ADHODH
SCHEMBL13487388 0.92 PDK2 (0.36) ACACAKDM4EMEN1KMT2ADHODH
SCHEMBL13487204 0.91 ENPP1 (0.36) ACACAKDM4ETP53HSD17B10MEN1
SCHEMBL13487318 0.90 CYP1A1 (0.38) CTRCCYP1A1CYP1B1PIM1ACACA
SCHEMBL13488083 0.89 CTRC (0.38) CTRCCYP1A1CYP1B1PIM1ACACA
SCHEMBL13487681 0.88 CTRC (0.37) CTRCCYP1A1CYP1B1PIM1ACACA
SCHEMBL13487311 0.86 KDM4E (0.34) PIM1HSD17B1HSD17B2KDM4ECYP1A2
SCHEMBL13487294 0.86 ESR1 (0.36) PIM1ACACAHSD17B1HSD17B2KDM4E
SCHEMBL13487077 0.86 KDM4E (0.39) KDM4EHSD17B10MEN1KMT2AFLT3
SCHEMBL13487293 0.86 ACACA (0.41) ACACAHSD17B1HSD17B2KDM4EMEN1

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
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
EP-2108689-A2 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 CTRC 4474/4885CYP1A1 558/4885CYP1B1 493/4885

“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.