SCHEMBL29433166

SCHEMBL29433166

c1ccc2c(c1)cc1c3c(cccc32)-c2cc3c(ccc4c5cc6c(cc5ccc34)-c3cc4ccccc4c4cccc-6c34)cc2-1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
HSD17B10 Q99714 7/20 0.75
HPGD P15428 4/20 0.75
TSHR P16473 4/20 0.75
HIF1A Q16665 3/20 0.75
MAPK1 P28482 3/20 0.75
CASP1 P29466 2/20 0.75
L3MBTL1 Q9Y468 2/20 0.75
CYP1A2 P05177 3/20 0.53
ERBB2 P04626 1/20 0.53
FYN P06241 1/20 0.53
MAOA P21397 1/20 0.53
ACHE P22303 1/20 0.53
AHR P35869 1/20 0.53
TP53 P04637 1/20 0.50
CASP7 P55210 1/20 0.50
CYP1B1 Q16678 1/20 0.48
THRB P10828 1/20 0.48
HPRT1 P00492 3/20 0.46
ATM Q13315 1/20 0.40

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
SCHEMBL29433167 1.00 ALDH1A1 (0.75) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL29433165 1.00 ALDH1A1 (0.75) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL29489957 0.96 ALDH1A1 (0.70) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL29433164 0.96 ALDH1A1 (0.70) ALDH1A1HSD17B10HPGDTSHRHIF1A
Benzo[B]Fluoranthene SCHEMBL25399455 0.91 ALDH1A1 (0.85) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL15562540 0.89 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL1273375 0.88 ALDH1A1 (0.88) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL2302722 0.87 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDTSHRHIF1A
Benzo(K)Fluoranthene SCHEMBL3432727 0.86 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDTSHRHIF1A
Benzo[B]Fluoranthene SCHEMBL175779 0.86 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDTSHRHIF1A

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-12172941-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2024-12-24 US disclosed
US-20220081378-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2022-03-17 US disclosed
EP-3967675-A1 DIACEPHENANTHRYLENO CHRYSENE DERIVATIVES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES CANON KABUSHIKI KAISHA (JP) 2022-03-16 EP 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-12172941-B2 Organic compound and organic light-emitting device CCNL2, ORC3, OR51E2 ALDH1A1 1723/4885HSD17B10 3282/4885HPGD 4196/4885
US-20220081378-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CCNL2, ORC3, OR51E2 ALDH1A1 1723/4885HSD17B10 3282/4885HPGD 4196/4885

“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.