SCHEMBL1102972

SCHEMBL1102972

c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccncc45)ccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.51
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 5/20 0.46
CYP19A1 P11511 2/20 0.46
CYP17A1 P05093 1/20 0.46
MAPK10 P53779 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TDO2 P48775 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1102627 0.96 TNF (0.52) TNFCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL1103664 0.95 TNF (0.47) TNFCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL1103670 0.95 TNF (0.47) TNFCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL1102784 0.95 CYP11B1 (0.49) TNFCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL1102672 0.95 TNF (0.54) TNFCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL1102816 0.95 CYP11B1 (0.48) TNFCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL1102781 0.95 TNF (0.49) TNFCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL1103694 0.94 TNF (0.46) TNFCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL1102828 0.94 CYP11B1 (0.47) TNFCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL1102791 0.93 TNF (0.55) TNFCYP11B1MAPK10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301175-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-09-21 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-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 TNF 3803/4885CYP11B1 836/4885CYP11B2 652/4885

“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.