Etocrylene

Etocrylene

SCHEMBL4076085

C.CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
LMNA P02545 3/20 0.61
MAPK1 P28482 2/20 0.61
MAPT P10636 5/20 0.50
CYP19A1 P11511 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 1/20 0.44
RAB9A P51151 2/20 0.44
USP2 O75604 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DHODH Q02127 1/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
Etocrylene SCHEMBL1768864 0.98 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1MAPTCYP19A1
Etocrylene SCHEMBL39390 0.98 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1MAPTCYP19A1
Etocrylene SCHEMBL9180144 0.93 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1MAPTCYP19A1
SCHEMBL8998907 0.93 LMNA (0.57) ALDH1A1LMNAMAPK1MAPTCYP19A1
SCHEMBL8998904 0.93 LMNA (0.57) ALDH1A1LMNAMAPK1MAPTCYP19A1
SCHEMBL12832324 0.91 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1MAPTCYP19A1
SCHEMBL14451735 0.90 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1MAPTCYP19A1
SCHEMBL13236536 0.89 CYP19A1 (0.56) ALDH1A1LMNAMAPK1MAPTCYP19A1
SCHEMBL1998828 0.89 CYP19A1 (0.56) ALDH1A1LMNAMAPK1MAPTCYP19A1
SCHEMBL12758735 0.89 LMNA (0.54) ALDH1A1LMNAMAPK1MAPTCYP19A1

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-20090039323-A1 Method of quenching electronic excitation of chromophore-containing organic molecules in photoactive compositions HALLSTAR INNOVATIONS CORP. (US) 2009-02-12 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-20090039323-A1 Method of quenching electronic excitation of chromophore-containing organic molecules in photoactive compositions CRYAA, CRY2, CRY1 ALDH1A1 476/4885LMNA 565/4885MAPK1 2902/4885

“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.