SCHEMBL10038686

SCHEMBL10038686

[C-]#[N+]c1ccc(N(c2ccc([N+]#[C-])cc2)c2cc3c4ccccc4c(N(c4ccc(C#N)cc4)c4ccc(C#N)cc4)cc3c3ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
TSHR P16473 1/20 0.32
PTGER4 P35408 1/20 0.31
RORC P51449 1/20 0.31
TNKS O95271 1/20 0.30
KDM1A O60341 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
SCHEMBL10038680 0.97 ABCG2 (0.33) ABCG2KEAP1NFE2L2CA1CA2
SCHEMBL10038673 0.94 ALDH1A1 (0.39) ABCG2PTGER4RORC
SCHEMBL12887587 0.92 CA1 (0.35) ABCG2CA1CA2
SCHEMBL10038685 0.92 ALDH1A1 (0.31) ABCG2
SCHEMBL10038684 0.91 RORC (0.33) ABCG2RORC
SCHEMBL10068693 0.88 TSHR (0.40) ABCG2KEAP1NFE2L2CA1CA2
SCHEMBL10068520 0.85 TSHR (0.42) ABCG2KEAP1NFE2L2CA1CA2
SCHEMBL20066925 0.83 ABCG2 (0.30) ABCG2
SCHEMBL11886621 0.82 ABCG2 (0.33) ABCG2KDM1A
SCHEMBL10038771 0.82 TSHR (0.35) ABCG2CA1CA2TSHRRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ABCG2 77/4885KEAP1 1639/4885NFE2L2 510/4885

“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.