SCHEMBL31663556

SCHEMBL31663556

c1ccc(-c2cccc(-c3cccnc3)c2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
PDK2 Q15119 1/20 0.54
PTGS2 P35354 1/20 0.51
KCNA5 P22460 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
TNF P01375 1/20 0.50
CYP11B1 P15538 2/20 0.49
KCNH2 Q12809 1/20 0.47
ALOX5 P09917 1/20 0.47
KMO O15229 1/20 0.47
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
CYP19A1 P11511 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL28427457 0.96 CYP2A6 (0.54) CYP2A6ALDH1A1CYP1A2CYP3A4PDK2
SCHEMBL28674858 0.90 CYP2A6 (0.61) CYP2A6ALDH1A1CYP1A2CYP3A4PDK2
SCHEMBL27244471 0.88 CYP2A6 (0.60) CYP2A6ALDH1A1CYP1A2CYP3A4PDK2
SCHEMBL29266806 0.88 CYP2A6 (0.54) CYP2A6ALDH1A1CYP1A2CYP3A4PDK2
SCHEMBL31017586 0.87 CYP2A6 (0.64) CYP2A6ALDH1A1CYP1A2CYP3A4PTGS2
SCHEMBL4621666 0.87 CYP2A6 (0.64) CYP2A6ALDH1A1CYP1A2CYP3A4PTGS2
SCHEMBL23120052 0.86 PDK2 (0.53) CYP2A6ALDH1A1CYP1A2CYP3A4PDK2
SCHEMBL25460359 0.86 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4PDK2PTGS2
SCHEMBL21742627 0.85 CYP2A6 (0.51) CYP2A6ALDH1A1CYP1A2CYP3A4PDK2
SCHEMBL29266778 0.85 ALDH1A1 (0.53) CYP2A6ALDH1A1CYP1A2CYP3A4PDK2

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-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX INC (JP) 2025-11-20 US disclosed
US-12369492-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2025-07-22 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-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 CYP2A6 1276/4885ALDH1A1 242/4885CYP1A2 540/4885
US-12369492-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 CYP2A6 1276/4885ALDH1A1 242/4885CYP1A2 540/4885

“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.