SCHEMBL18326898

SCHEMBL18326898

CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2ccc3c4cccnc4n(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3c21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ABCG2 Q9UNQ0 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
SCHEMBL18326913 0.82 ALDH1A1 (0.34) ALDH1A1TSHRCYP2C19ABCG2
SCHEMBL16940873 0.81 DUSP3 (0.32) —
SCHEMBL16940912 0.81 — —
SCHEMBL18058073 0.76 ABCG2 (0.32) ABCG2
SCHEMBL18326892 0.76 TOP1 (0.34) —
SCHEMBL18058071 0.76 ABCG2 (0.32) ABCG2
SCHEMBL19104576 0.76 DUSP3 (0.33) —
SCHEMBL18253310 0.75 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19ABCG2
SCHEMBL16940880 0.75 KDM4E (0.31) —
SCHEMBL23204517 0.75 — —

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-20160372679-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENCE DEVICE LUMINESCENCE TECHNOLOGY CORP. (TW) 2016-12-22 — — US disclosed
US-20160372679-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENCE DEVICE LUMINESCENCE TECHNOLOGY CORP. (TW) 2016-12-22 — — 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 (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-20160372679-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENCE DEVICE CCNE2, CYP3A4, CCNE1 ALDH1A1 169/4885TSHR 3379/4885CYP2C19 280/4885

“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.

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