SCHEMBL22036325

SCHEMBL22036325

C=N/C(=C\C(C)=C(C)C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ATM Q13315 2/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 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
SCHEMBL21229634 0.81 MAPT (0.43) LMNAL3MBTL1MAPK1CES2CES1
SCHEMBL22071895 0.81 LMNA (0.36) LMNAL3MBTL1MAPK1HTTCES2
SCHEMBL24884816 0.78 AKT1 (0.35) LMNAL3MBTL1MAPK1HTTCES2
SCHEMBL19300441 0.77 AKT1 (0.38) LMNAL3MBTL1MAPK1HTTCES2
SCHEMBL20625867 0.77 MEN1 (0.32) LMNAL3MBTL1MAPK1HTTMEN1
SCHEMBL20908860 0.76 MEN1 (0.32) LMNAL3MBTL1MAPK1HTTMEN1
SCHEMBL22071486 0.74 CES2 (0.34) LMNAL3MBTL1MAPK1HTTCES2
SCHEMBL13814751 0.72 LMNA (0.33) LMNAMAPTATMSMN1; SMN2
SCHEMBL21253891 0.71 AKT1 (0.37) MAPK1CES2CES1MEN1KMT2A
SCHEMBL19046658 0.71 AKT1 (0.37) L3MBTL1MAPK1MEN1KMT2AAKT1

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-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-28 — — 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-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES ETV6, CYP2J2, CYP2D6 LMNA 4443/4885L3MBTL1 3859/4885MAPK1 3104/4885

“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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