SCHEMBL1102875

SCHEMBL1102875

c1ccc2c(-c3ccc4c(c3)CCCC4)c3ncccc3c(-c3ccc4c(c3)CCCC4)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 5/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 3/20 0.36
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 2/20 0.36
HPGD P15428 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
TSHR P16473 1/20 0.34
RIPK1 Q13546 1/20 0.34
KDM4E B2RXH2 5/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 4/20 0.33

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
SCHEMBL4355468 0.84 CYP11B1 (0.49) CYP11B1CYP11B2MAPTSMN1; SMN2NPC1
SCHEMBL1102946 0.78 ALDH1A1 (0.39) MAPTSMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL1102512 0.78 CYP11B1 (0.56) CYP11B1CYP11B2MAPTSMN1; SMN2NPC1
SCHEMBL1103115 0.76 L3MBTL1 (0.42) MAPTNPC1ALDH1A1KDM4ELMNA
SCHEMBL1103081 0.76 L3MBTL1 (0.42) MAPTNPC1ALDH1A1KDM4ELMNA
SCHEMBL1103120 0.76 L3MBTL1 (0.42) MAPTNPC1ALDH1A1KDM4ELMNA
SCHEMBL1103109 0.76 L3MBTL1 (0.42) MAPTNPC1ALDH1A1KDM4ELMNA
SCHEMBL1102860 0.75 CYP17A1 (0.45) CYP11B1CYP11B2MAPTSMN1; SMN2NPC1
SCHEMBL1102913 0.75 TOP1 (0.38) NPC1ALDH1A1L3MBTL1HSP90AA1
SCHEMBL1103074 0.75 CYP17A1 (0.45) CYP11B1CYP11B2MAPTSMN1; SMN2NPC1

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 836/4885CYP11B2 652/4885MAPT 3162/4885

“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.