Sugi Predict

Sugi Predict / Compounds / SCHEMBL1102915

SCHEMBL1102915

SCHEMBL1102915

c1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(-c2cccc3ccccc23)c2ccncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.40
▸ POLB P06746 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ IKBKE Q14164 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP11B2 P19099 5/20 0.33
▸ CYP11B1 P15538 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ BCHE P06276 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
SCHEMBL1102544 0.85 STAT3 (0.38) POLBKDM4ECYP11B2CYP11B1SMN1; SMN2
SCHEMBL1102855 0.85 TNF (0.40) TNFPOLBKDM4ECYP1A2CYP2C19
SCHEMBL1102713 0.84 TNF (0.39) TNFPOLBCNR1CNR2KDM4E
SCHEMBL1102819 0.82 TNF (0.40) TNFPOLBCNR1CNR2KDM4E
SCHEMBL1102910 0.82 TNF (0.37) TNFPOLBCNR1CNR2KDM4E
SCHEMBL1102651 0.82 CYP11B1 (0.36) TNFPOLBCYP3A4CYP11B2CYP11B1
SCHEMBL1102785 0.81 CYP11B1 (0.39) CYP11B2CYP11B1RAB9ANPC1CYP19A1
SCHEMBL1103242 0.81 TSHR (0.40) POLBKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1103691 0.78 TNF (0.56) TNFKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1102541 0.78 TNF (0.56) TNFKDM4ECYP1A2CYP2C9CYP2C19

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 3803/4885POLB 2825/4885CNR1 1300/4885

“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.