SCHEMBL22344759

SCHEMBL22344759

CCOC(=O)/C=C/C(C)=C/CS(=O)(=O)c1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.42
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL20279072 0.83 ALDH1A1 (0.60) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL14138446 0.79 ALDH1A1 (0.68) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL20265934 0.77 ALDH1A1 (0.50) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL30218798 0.77 ALDH1A1 (0.50) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL21198462 0.75 ALDH1A1 (0.61) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL21198464 0.75 ALDH1A1 (0.61) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL21207308 0.74 ALDH1A1 (0.52) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL21197473 0.73 ALDH1A1 (0.50) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL21197474 0.73 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL17363028 0.72 ALDH1A1 (0.57) MAPTALDH1A1KMT2AMEN1LMNA

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-10800735-B2 Intermediate compound for manufacturing bixin ethyl ester and method of manufacturing the same MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2020-10-13 US disclosed
US-20200262786-A1 NOVEL INTERMEDIATE COMPOUND FOR MANUFACTURING BIXIN ETHYL ESTER AND METHOD OF MANUFACTURING THE SAME MYONGI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2020-08-20 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 (2 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-20200262786-A1 NOVEL INTERMEDIATE COMPOUND FOR MANUFACTURING BIXIN ETHYL ESTER AND METHOD OF MANUFACTURING THE SAME BRIX1, CYP4X1, BROX MAPT 3415/4885ALDH1A1 2616/4885KMT2A 3436/4885
US-10800735-B2 Intermediate compound for manufacturing bixin ethyl ester and method of manufacturing the same BRIX1, BROX, CYP4X1 MAPT 3505/4885ALDH1A1 2686/4885KMT2A 3255/4885

“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.