SCHEMBL12397406

SCHEMBL12397406

CC#Cc1c2cc3ccc(-c4cc5cc6c(C#CC)c7cc8ccccc8cc7c(C#CC)c6cc5s4)cc3cc2c(C#CC)c2cc3cc(C)c(C)cc3cc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.38
▸ ESR2 Q92731 9/20 0.38
▸ APP P05067 2/20 0.37
▸ ERN1 O75460 1/20 0.34
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL12397408 0.91 APP (0.32) ESR1ESR2APPCYP1A1CYP1A2
SCHEMBL10045627 0.77 ALDH1A1 (0.37) CYP1A1CYP1A2CYP1B1
SCHEMBL12397401 0.76 CA2 (0.36) CA2
SCHEMBL12278472 0.73 APP (0.42) ESR1ESR2APPERN1HSD17B1
SCHEMBL25061111 0.72 APP (0.40) ESR1ESR2APPERN1HSD17B1
SCHEMBL25061055 0.72 APP (0.40) ESR1ESR2APPERN1HSD17B1
SCHEMBL18843167 0.72 ESR1 (0.40) ESR1ESR2APPERN1HSD17B1
SCHEMBL9976850 0.72 APP (0.50) ESR1ESR2APPERN1HSD17B1
SCHEMBL12277767 0.72 APP (0.41) ESR1ESR2APPERN1HSD17B1
SCHEMBL15025856 0.71 ADORA2A (0.34) CYP1A2

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 ESR1 459/4885ESR2 2744/4885APP 361/4885

“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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