SCHEMBL125668

SCHEMBL125668

[C-]#[N+]c1ccc(N(c2cc(C)cc(C)c2)c2ccc3ccc4c(N(c5ccc(C#N)cc5)c5cc(C)cc(C)c5)ccc5ccc2c3c54)cc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL12576028 0.94
SCHEMBL126377 0.92 ALDH1A1 (0.39) ALDH1A1CYP2A6
SCHEMBL12575848 0.91 HRH3 (0.30)
SCHEMBL126191 0.91
SCHEMBL179186 0.91 ALDH1A1 (0.37) ALDH1A1CYP2A6
SCHEMBL12575800 0.88 ALDH1A1 (0.33) ALDH1A1CYP2A6
SCHEMBL12575859 0.88 ALDH1A1 (0.33) ALDH1A1CYP2A6
SCHEMBL12575719 0.88 MYC (0.31)
SCHEMBL10038679 0.86 ALDH1A1 (0.30) ALDH1A1CYP2A6
SCHEMBL12575844 0.86 PGR (0.32)

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-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 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-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 ALDH1A1 61/4885CYP2A6 1167/4885

“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.