SCHEMBL13990397

SCHEMBL13990397

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CES2 O00748 3/20 0.40
▸ CES1 P23141 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TBXAS1 P24557 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ NAAA Q02083 1/20 0.38
▸ APP P05067 1/20 0.38
▸ EP300 Q09472 1/20 0.37
▸ SOAT2 O75908 1/20 0.36

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
SCHEMBL2767621 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL2768791 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31284893 0.98 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31285033 0.98 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31285016 0.98 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31284710 0.98 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31285494 0.98 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31310782 0.95 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL3174321 0.88 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL3175863 0.88 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102899-B2 Organic compounds GIVAUDAN SA (CH) 2015-08-11 — — US disclosed
US-9102899-B2 Organic compounds GIVAUDAN SA (CH) 2015-08-11 — — US disclosed
US-20080306170-A1 Organic Compounds GIVAUDAN SA (CH) 2008-12-11 — — US disclosed
US-20080306170-A1 Organic Compounds GIVAUDAN SA (CH) 2008-12-11 — — 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-20080306170-A1 Organic Compounds PNN, TRPA1, PAOX SMN1; SMN2 899/4885ALDH1A1 257/4885MAPK1 3761/4885

“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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