SCHEMBL1102512

SCHEMBL1102512

c1ccc2c(-c3ccc4c(c3)CCCC4)c3cnccc3c(-c3ccc4c(c3)CCCC4)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.56
CYP11B2 P19099 8/20 0.56
SIGMAR1 Q99720 1/20 0.44
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGER2 P43116 1/20 0.36
TSHR P16473 1/20 0.35

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 0.85 CYP11B1 (0.49) CYP11B1CYP11B2MEN1MAPTKMT2A
SCHEMBL1102875 0.78 CYP11B1 (0.48) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL1102558 0.77 KDM4E (0.43) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL1102900 0.75 TNF (0.47) CYP1A2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL1102806 0.75 TNF (0.47) CYP1A2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL1102798 0.75 TNF (0.47) CYP1A2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL1102677 0.75 TNF (0.47) CYP1A2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL1103278 0.74 CYP11B1 (0.41) CYP11B1CYP11B2MEN1MAPTKMT2A
SCHEMBL1102635 0.74 CYP11B1 (0.54) CYP11B1CYP11B2NPC1RAB9AKDM4E
SCHEMBL1102481 0.74 CYP11B1 (0.54) CYP11B1CYP11B2NPC1RAB9AKDM4E

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 5 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
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 CYP11B1 836/4885CYP11B2 652/4885SIGMAR1 2537/4885

“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.