SCHEMBL1102645

SCHEMBL1102645

c1ccc(-c2cc3ccccc3cc2-c2c3ccccc3c(-c3ccccc3)c3ccncc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.51
CYP11B1 P15538 4/20 0.46
ALOX5 P09917 1/20 0.45
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
HASPIN Q8TF76 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
CYP11B2 P19099 3/20 0.41
IKBKB O14920 3/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK10 P53779 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
CHUK O15111 1/20 0.37

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
SCHEMBL1102489 0.97 TNF (0.54) TNFCYP11B1ALOX5ESR1ESR2
SCHEMBL1102709 0.92 CYP11B1 (0.48) TNFCYP11B1ALOX5HASPINGPR84
SCHEMBL1102804 0.90 TNF (0.59) TNFCYP11B1ALOX5HASPINGPR84
SCHEMBL1102549 0.88 CYP11B1 (0.58) TNFCYP11B1ALOX5ESR1ESR2
SCHEMBL1102702 0.87 CYP11B1 (0.60) TNFCYP11B1ALOX5ESR1ESR2
SCHEMBL12887013 0.86 TNF (0.44) TNFCYP11B1ALOX5HASPINGPR84
SCHEMBL12887417 0.85 TNF (0.43) TNFCYP11B1ALOX5HASPINGPR84
SCHEMBL1102683 0.84 CYP11B1 (0.49) TNFCYP11B1ALOX5ESR1ESR2
SCHEMBL1102642 0.84 TNF (0.53) TNFCYP11B1ALOX5HASPINCYP11B2
SCHEMBL1102612 0.84 TNF (0.53) TNFCYP11B1ALOX5HASPINIKBKB

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 TNF 3803/4885CYP11B1 836/4885ALOX5 9/4885

“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.