Sugi Predict

Sugi Predict / Compounds / SCHEMBL1102965

SCHEMBL1102965

SCHEMBL1102965

CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccncc34)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.39
▸ BACE1 P56817 1/20 0.36
▸ PDK2 Q15119 2/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ HTR2C P28335 3/20 0.33
▸ KDM4E B2RXH2 2/20 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
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ CHEK1 O14757 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
SCHEMBL1102772 0.94 TNF (0.40) TNFBACE1PDK2MAPK11MAPK14
SCHEMBL1102783 0.93 PDK2 (0.38) TNFBACE1PDK2PIK3CDDHODH
SCHEMBL1102896 0.92 TNF (0.39) TNFBACE1PDK2MAPK11MAPK14
SCHEMBL1103626 0.92 TNF (0.39) TNFBACE1PDK2MAPK11MAPK14
SCHEMBL1103666 0.92 TNF (0.39) TNFBACE1PDK2MAPK11MAPK14
SCHEMBL1102962 0.91 TNF (0.40) TNFBACE1PDK2MAPK11MAPK14
SCHEMBL1102602 0.91 PDK2 (0.38) TNFBACE1PDK2PIK3CDDHODH
SCHEMBL1102787 0.90 TNF (0.45) TNFBACE1PDK2MAPK11MAPK14
SCHEMBL1103639 0.89 TNF (0.40) TNFBACE1PDK2MAPK11MAPK14
SCHEMBL1102745 0.89 TDO2 (0.37) PDK2SLC22A12PIK3CD

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 3803/4885BACE1 1597/4885PDK2 1930/4885

“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.