SCHEMBL13609918

SCHEMBL13609918

CCCCCCCCCCCCCCCOC(=O)/C(=C/C=C/N1CCCCC1)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ TSHR P16473 4/20 0.43
▸ MAPK1 P28482 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GLO1 Q04760 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ NAAA Q02083 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ RAD52 P43351 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
SCHEMBL19240089 0.95 ALDH1A1 (0.48) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL14456204 0.93 ALDH1A1 (0.49) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL20805921 0.87 TSHR (0.45) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL12292368 0.83 TSHR (0.41) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL19240031 0.83 ALDH1A1 (0.64) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL12260843 0.80 MAPT (0.42) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL9889261 0.80 MAPT (0.42) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL12292355 0.80 MAPT (0.42) ALDH1A1GAATSHRMAPK1NPSR1
SCHEMBL13855938 0.80 ALDH1A1 (0.51) ALDH1A1GAATSHRMAPK1L3MBTL1
SCHEMBL19240018 0.77 ALDH1A1 (0.67) ALDH1A1GAAMAPK1NPSR1MAPT

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 2 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-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 422/4885GAA 4708/4885TSHR 2765/4885

“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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