SCHEMBL12397401

SCHEMBL12397401

CC#Cc1c2cc3ccc(-c4ccc5cc6c(C#CC)c7cc8sccc8cc7c(C#CC)c6cc5c4)cc3cc2c(C#CC)c2cc3cc(C)c(C)cc3cc12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.36
▸ CA12 O43570 9/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ ENPP1 P22413 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
SCHEMBL15069878 0.84 CYP2A6 (0.38) CA2CA12DYRK1A
SCHEMBL12397406 0.76 ESR1 (0.38) CA2
SCHEMBL12397408 0.70 APP (0.32) —
SCHEMBL17970824 0.69 CYP2A6 (0.39) CA2CA12DYRK1A
SCHEMBL10045628 0.69 CYP2A6 (0.39) CA2CA12DYRK1A
SCHEMBL826944 0.69 CYP2A6 (0.42) CA2CA12DYRK1A
SCHEMBL762259 0.68 CYP2A6 (0.35) DYRK1A
SCHEMBL762098 0.68 CYP2A6 (0.35) DYRK1A
SCHEMBL12590007 0.67 ELANE (0.32) —
SCHEMBL12761827 0.66 CYP2A6 (0.39) CA2CA12DYRK1A

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-7985353-B2 Semiconductors; electronics; organic field effect transistors MERCK PATENT GMBH (DE) 2011-07-26 — — US disclosed
US-20080197325-A1 Oligomeric Polyacene and Semiconductor Formulations MERCK PATENT GMBH (DE) 2008-08-21 — — 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-20080197325-A1 Oligomeric Polyacene and Semiconductor Formulations OR51E2, OR10J3, OSTC CA2 3474/4885CA12 2824/4885DYRK1A 3596/4885

“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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