SCHEMBL14718271

SCHEMBL14718271

c1ccc2cc3c(cc2c1)c1ccccc1c1cc2cc4c(cc2cc13)-c1ccc2ccc3cccc5cc-4c1c2c35

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
HSD17B10 Q99714 7/20 0.52
HPGD P15428 5/20 0.52
TSHR P16473 5/20 0.52
MAPK1 P28482 3/20 0.52
HIF1A Q16665 3/20 0.52
CASP1 P29466 2/20 0.52
TP53 P04637 1/20 0.52
CASP7 P55210 1/20 0.52
CYP1A2 P05177 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
FYN P06241 2/20 0.46
ACHE P22303 2/20 0.46
AHR P35869 2/20 0.46
ERBB2 P04626 1/20 0.46
MAOA P21397 1/20 0.46
THRB P10828 1/20 0.45
CYP1B1 Q16678 3/20 0.38
CYP1A1 P04798 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL14718440 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL14954377 0.89 ALDH1A1 (0.59) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL14719119 0.89 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL5480866 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL3839468 0.81 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL29532031 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL29367436 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL652259 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDTSHRMAPK1
Benzo[B]Triphenylene SCHEMBL27880827 0.81 ALDH1A1 (0.67) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL14732725 0.79 PTPRC (0.41) ALDH1A1HSD17B10HPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829502-B2 Condensed polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20130048965-A1 CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-28 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-20130048965-A1 CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CCNE2, NFE2L2, CRY2 ALDH1A1 1007/4885HSD17B10 1089/4885HPGD 2902/4885

“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.