Sugi Predict

Sugi Predict / Compounds / SCHEMBL1102745

SCHEMBL1102745

SCHEMBL1102745

CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccncc34)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.37
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ CCNC P24863 10/20 0.35
▸ CDK8 P49336 10/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ MAPK9 P45984 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ MAPK8 P45983 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
SCHEMBL1102725 0.96 CYP11B1 (0.39) TDO2CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102625 0.93 TDO2 (0.38) TDO2CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102655 0.93 CYP11B1 (0.39) TDO2CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102596 0.92 PDK2 (0.39) TDO2CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102676 0.92 CYP11B1 (0.41) TDO2CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102707 0.92 CYP17A1 (0.41) TDO2CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102782 0.91 CYP11B2 (0.43) TDO2CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102783 0.91 PDK2 (0.38) TDO2PIK3CDPDK2
SCHEMBL1103634 0.90 CYP17A1 (0.39) TDO2CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1103676 0.90 CYP17A1 (0.39) TDO2CYP11B1CYP11B2CYP17A1CYP19A1

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 TDO2 1166/4885CYP11B1 836/4885CYP11B2 652/4885

“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.