SCHEMBL1102989

SCHEMBL1102989

c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ncccc13)c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CCR1 P32246 5/20 0.46
CCR8 P51685 5/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
LMNA P02545 3/20 0.45
CCR5 P51681 3/20 0.45
HIF1A Q16665 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
HSP90AA1 P07900 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
MMP2 P08253 1/20 0.45
CYP2D6 P10635 1/20 0.45
MMP9 P14780 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL13512522 0.96 CYP11B1 (0.50) CYP11B1CCR1CCR8L3MBTL1LMNA
SCHEMBL1103193 0.92 CYP11B1 (0.42) CYP11B1CCR1CCR8L3MBTL1LMNA
SCHEMBL1102988 0.91 CYP11B1 (0.50) CYP11B1CCR1CCR8L3MBTL1LMNA
SCHEMBL1103683 0.90 CYP11B1 (0.50) CYP11B1CCR1CCR8L3MBTL1LMNA
SCHEMBL1103130 0.87 CYP11B1 (0.43) CYP11B1CCR1CCR8L3MBTL1LMNA
SCHEMBL1102936 0.85 CYP3A4 (0.42) CYP11B1CCR1CCR8L3MBTL1LMNA
SCHEMBL24558561 0.83 CCR1 (0.47) CYP11B1CCR1CCR8L3MBTL1LMNA
SCHEMBL12263024 0.82 CYP11B1 (0.46) CYP11B1CCR1CCR8L3MBTL1LMNA
SCHEMBL22989785 0.82 ALDH1A1 (0.45) CYP11B1CCR1CCR8L3MBTL1LMNA
SCHEMBL1103010 0.82 TOP1 (0.46) CYP11B1CCR1CCR8L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 CYP11B1 836/4885CCR1 1341/4885CCR8 1581/4885

“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.