Sugi Predict

Sugi Predict / Compounds / SCHEMBL19628176

SCHEMBL19628176

SCHEMBL19628176

c1ccc2c(c1)ccc1c3ccccc3c(-c3cc4cccc5c6c7ccccc7sc6c6cccc3c6c45)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.41
▸ FYN P06241 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ AHR P35869 2/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ HPRT1 P00492 4/20 0.38
▸ NQO1 P15559 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ TNKS O95271 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ HIF1A Q16665 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL19628171 0.92 ALOX5 (0.35) CYP1A2FYNACHEAHRERBB2
SCHEMBL19628172 0.92 ALDH1A1 (0.41) CYP1A2FYNACHEAHRERBB2
SCHEMBL19628178 0.88 MEN1 (0.35) CYP1A2FYNACHEAHRERBB2
SCHEMBL19628177 0.88 CYP1A2 (0.40) CYP1A2FYNACHEAHRERBB2
SCHEMBL19628173 0.88 CYP1A2 (0.45) CYP1A2FYNACHEAHRERBB2
SCHEMBL19628132 0.87 ALOX5 (0.38) CYP1A2FYNACHEAHRERBB2
SCHEMBL19628179 0.87 ALOX5 (0.38) CYP1A2FYNACHEAHRERBB2
SCHEMBL19628180 0.85 TNKS (0.33) ALDH1A1HPGDTNKSTNKS2MAPT
SCHEMBL19628168 0.83 F9 (0.39) CYP1A2FYNACHEAHRERBB2
SCHEMBL19628140 0.82 MEN1 (0.38) CYP1A2FYNACHEAHRERBB2

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 CYP1A2 509/4885FYN 1530/4885ACHE 155/4885
US-20170338416-A1 ORGANIC COMPOUND FOR ELECTRONIC DEVICE COMPRISING FUSED-CORE STRUCTURE, ORGANIC OPTOELECTRONIC DEVICE COMPRISING SAME, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 CYP1A2 509/4885FYN 1530/4885ACHE 155/4885

“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.