SCHEMBL13609922

SCHEMBL13609922

CCCCCCCCOC(=O)/C(=C/C=C/N(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PPARG P37231 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ MAPT P10636 2/20 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
SCHEMBL10678505 1.00 ALDH1A1 (0.42) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL13609911 1.00 ALDH1A1 (0.42) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL13609930 0.92 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL12382048 0.91 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL10442259 0.91 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL3455090 0.91 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL9629063 0.91 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL39397 0.91 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL2398240 0.91 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL9889213 0.91 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53

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 422/4885LMNA 4035/4885TSHR 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.

Send feedback