Sugi Predict

Sugi Predict / Compounds / SCHEMBL19628170

SCHEMBL19628170

SCHEMBL19628170

c1ccc2c(-c3cc4cccc5c6c7ccccc7sc6c6cccc3c6c45)c3ccccc3cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.43
▸ NQO1 P15559 1/20 0.43
▸ CES1 P23141 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MGAM O43451 1/20 0.34

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
SCHEMBL19628157 0.89 NQO1 (0.36) NQO2NQO1CES1CYP1A2ERBB2
SCHEMBL19628172 0.88 ALDH1A1 (0.41) NQO2NQO1CES1CYP1A2ERBB2
SCHEMBL19628175 0.88 PTPN1 (0.37) NQO2NQO1CYP1A2ERBB2FYN
SCHEMBL19628163 0.84 PTPN1 (0.38) NQO2NQO1TNKSTNKS2ALOX5
SCHEMBL19628160 0.84 ALOX5 (0.35) NQO2NQO1CYP1A2ERBB2FYN
SCHEMBL19628132 0.84 ALOX5 (0.38) NQO2NQO1CES1CYP1A2ERBB2
SCHEMBL19628140 0.84 MEN1 (0.38) NQO2NQO1CYP1A2ERBB2FYN
SCHEMBL19628173 0.82 CYP1A2 (0.45) NQO2NQO1CYP1A2ERBB2FYN
SCHEMBL19628153 0.81 ALOX5 (0.41) NQO2NQO1CYP1A2ERBB2FYN
SCHEMBL19628176 0.81 CYP1A2 (0.41) NQO2NQO1CYP1A2ERBB2FYN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439144-B2 Organic compound for electronic device comprising fused-core structure, organic optoelectronic device comprising same, and display device UNIVERSITY-INDUSTRY COOPERATEON GROUP OF KYUNG HEE UNIVERSITY (KR) 2019-10-08 — — US disclosed
US-20170338416-A1 ORGANIC COMPOUND FOR ELECTRONIC DEVICE COMPRISING FUSED-CORE STRUCTURE, ORGANIC OPTOELECTRONIC DEVICE COMPRISING SAME, AND DISPLAY DEVICE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2017-11-23 — — US disclosed
US-20170338416-A1 ORGANIC COMPOUND FOR ELECTRONIC DEVICE COMPRISING FUSED-CORE STRUCTURE, ORGANIC OPTOELECTRONIC DEVICE COMPRISING SAME, AND DISPLAY DEVICE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2017-11-23 — — 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 (2 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-10439144-B2 Organic compound for electronic device comprising fused-core structure, organic optoelectronic device comprising same, and display device OR10J3, OCIAD2, OCIAD1 NQO2 4171/4885NQO1 878/4885CES1 2877/4885
US-20170338416-A1 ORGANIC COMPOUND FOR ELECTRONIC DEVICE COMPRISING FUSED-CORE STRUCTURE, ORGANIC OPTOELECTRONIC DEVICE COMPRISING SAME, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 NQO2 4171/4885NQO1 878/4885CES1 2877/4885

“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.