SCHEMBL17034487

SCHEMBL17034487

CC(C)=C/C=C(\C=N)c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ACHE P22303 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35

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
SCHEMBL23260541 0.82 PARP1 (0.47) PARP1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL24711679 0.79 PARP1 (0.48) PARP1HDAC8HDAC6SMN1; SMN2ACHE
SCHEMBL25599133 0.78 PARP1 (0.47) PARP1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL17468521 0.78 PARP1 (0.41) PARP1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL20037381 0.76 HDAC8 (0.43) PARP1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL16922518 0.73 DHODH (0.38) PARP1MAPTPOLB
SCHEMBL23320218 0.73 PARP1 (0.37) PARP1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL15471903 0.72 PARP1 (0.46) PARP1HDAC8HDAC6SMN1; SMN2ACHE
SCHEMBL15472207 0.71 PARP1 (0.41) PARP1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL24711143 0.71 PARP1 (0.47) PARP1HDAC8HDAC6ALDH1A1MAPT

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-20150243903-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-27 — — 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-20150243903-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP PARP1 1094/4885HDAC8 4336/4885HDAC6 4106/4885

“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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