SCHEMBL31663576

SCHEMBL31663576

c1ccc(-c2cccc(-c3cccnc3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
MKNK1 Q9BUB5 4/20 0.64
MKNK2 Q9HBH9 4/20 0.64
MEN1 O00255 1/20 0.64
PSIP1 O75475 1/20 0.64
AXL P30530 1/20 0.64
CYP11B2 P19099 5/20 0.62
CYP11B1 P15538 4/20 0.62
CYP19A1 P11511 3/20 0.62
CYP17A1 P05093 1/20 0.62
KMO O15229 1/20 0.61
EPHX2 P34913 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL29398069 1.00 CYP2A6 (0.68) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL8385276 1.00 CYP2A6 (0.68) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL20973115 1.00 CYP2A6 (0.68) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL18134279 0.98 CYP19A1 (0.66) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL21396881 0.98 CYP19A1 (0.66) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL24492828 0.98 CYP19A1 (0.66) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL17189941 0.98 CYP19A1 (0.66) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL15982379 0.98 CYP19A1 (0.66) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL18650174 0.98 CYP19A1 (0.66) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL24493204 0.98 CYP19A1 (0.66) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1

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.