SCHEMBL1102487

SCHEMBL1102487

c1ccc2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3cnccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.41
CYP1A2 P05177 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
MAOA P21397 2/20 0.35
ACHE P22303 2/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
AHR P35869 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
SCHEMBL1102699 0.96 TNF (0.45) TNFCYP1A2KDM4ELMNACYP3A4
SCHEMBL1102595 0.93 TNF (0.47) TNFCYP1A2KDM4ELMNACYP3A4
SCHEMBL1102786 0.88 CYP11B1 (0.40) TNFCYP1A2KDM4ECYP3A4CYP2D6
SCHEMBL12887402 0.87 TNF (0.36) TNFCYP1A2KDM4ELMNACYP3A4
SCHEMBL12886983 0.87 MAPT (0.39) TNFKDM4EPOLB
SCHEMBL1102907 0.83 TNF (0.54) TNFCYP1A2KDM4ELMNACYP3A4
SCHEMBL1102905 0.83 TNF (0.47) TNFCYP1A2KDM4ELMNACYP3A4
SCHEMBL1102491 0.82 CRHBP (0.43) TNFCYP1A2KDM4ELMNACYP3A4
SCHEMBL1103691 0.82 TNF (0.56) TNFCYP1A2KDM4ELMNACYP3A4
SCHEMBL1102541 0.82 TNF (0.56) TNFCYP1A2KDM4ELMNACYP3A4

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 TNF 3803/4885CYP1A2 1437/4885KDM4E 3367/4885

“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.