SCHEMBL1102595

SCHEMBL1102595

c1ccc(-c2c3ccccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3cnccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.47
ALOX5 P09917 1/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 2/20 0.36
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 3/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 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
SCHEMBL1102487 0.93 TNF (0.41) TNFCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL1102699 0.89 TNF (0.45) TNFCYP11B2KDM4EALDH1A1HPGD
SCHEMBL1102786 0.87 CYP11B1 (0.40) TNFCYP11B1CYP11B2KDM4ECYP1A2
SCHEMBL1102652 0.86 TNF (0.59) TNFALOX5CYP11B1ESR1ESR2
SCHEMBL1102661 0.85 TNF (0.47) TNFALOX5CYP11B1ESR1ESR2
SCHEMBL1102660 0.85 TNF (0.46) TNFALOX5CYP11B1CYP11B2KDM4E
SCHEMBL1102550 0.84 TNF (0.61) TNFALOX5CYP11B1ESR1ESR2
SCHEMBL12886983 0.84 MAPT (0.39) TNFCSNK2A2CSNK2BKDM4EMAPT
SCHEMBL12887402 0.84 TNF (0.36) TNFCSNK2A2CSNK2BKDM4ECYP1A2
SCHEMBL1102618 0.83 TNF (0.59) TNFALOX5CYP11B1ESR1ESR2

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 3803/4885ALOX5 9/4885CYP11B1 836/4885

“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.