SCHEMBL13609928

SCHEMBL13609928

CCN(C)/C=C/C=C(/C(=O)OC)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL22453309 0.89 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL805450 0.87 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL13609923 0.87 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL2399698 0.87 RAB9A (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL2399700 0.87 RAB9A (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL13609930 0.83 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL24293675 0.82 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL3201661 0.80 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL13301540 0.80 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL12268385 0.80 ALDH1A1 (0.35) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1

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-7622603-B2 Transesterifying a delta-aminopentadienoic acid ester that is alpha-substituted with an electron-withdrawing group (e.g., phenylsulfonyl) by reaction with an alcohol; tetraalkyl titanate catalyst FUJIFILM CORPORATION (JP) 2009-11-24 — — US disclosed
US-7622603-B2 Transesterifying a delta-aminopentadienoic acid ester that is alpha-substituted with an electron-withdrawing group (e.g., phenylsulfonyl) by reaction with an alcohol; tetraalkyl titanate catalyst FUJIFILM CORPORATION (JP) 2009-11-24 — — US disclosed
US-20080076940-A1 PROCESS FOR PRODUCING S-AMINOPENTADIENOATE COMPOUND FUJIFILM CORPORATION (JP) 2008-03-27 — — US disclosed
US-20080076940-A1 PROCESS FOR PRODUCING S-AMINOPENTADIENOATE COMPOUND FUJIFILM CORPORATION (JP) 2008-03-27 — — 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-20080076940-A1 PROCESS FOR PRODUCING S-AMINOPENTADIENOATE COMPOUND AASDHPPT, ADH1A, SSR4 ALDH1A1 422/4885KMT2A 3013/4885SMN1; SMN2 3669/4885

“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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