Sugi Predict

Sugi Predict / Compounds / SCHEMBL12200467

SCHEMBL12200467

SCHEMBL12200467

Cc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)n2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.39
▸ CYP2A6 P11509 3/20 0.39
▸ CRHR1 P34998 6/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ERBB2 P04626 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ PPARG P37231 1/20 0.31

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
SCHEMBL12200468 0.90 ALDH1A1 (0.47) CYP1A2CYP2A6CRHR1ALDH1A1HPGD
SCHEMBL12200458 0.89 ALDH1A1 (0.38) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL12200502 0.86 ALDH1A1 (0.36) CYP1A2CYP2A6CRHR1ALDH1A1HPGD
SCHEMBL12200466 0.86 ALDH1A1 (0.37) CYP1A2CYP2A6CRHR1ALDH1A1HPGD
SCHEMBL12200462 0.81 KDM4E (0.41) CYP1A2CYP2A6CRHR1ALDH1A1HPGD
SCHEMBL2453274 0.79 CYP1A2 (0.41) CYP1A2CYP2A6CRHR1ALDH1A1HPGD
SCHEMBL29444802 0.79 CYP1A2 (0.41) CYP1A2CYP2A6CRHR1ALDH1A1HPGD
SCHEMBL12200448 0.79 CYP1A1 (0.41) CYP1A2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL12200457 0.78 ALDH1A1 (0.52) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL12200503 0.78 KDM4E (0.35) CYP1A2CYP2A6CRHR1ALDH1A1HPGD

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-8765270-B2 Triazine compound and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-07-01 — — US disclosed
US-8765270-B2 Triazine compound and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-07-01 — — US disclosed
US-20110240983-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 — — US disclosed
US-20110240983-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 — — US disclosed
WO-2010067894-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2010-06-17 — — WO 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-20110240983-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME TERT, CYP1A1, NR2E3 CYP1A2 14/4885CYP2A6 970/4885CRHR1 1090/4885

“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.