SCHEMBL22356378

SCHEMBL22356378

CCOC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 2/20 0.47
RECQL P46063 2/20 0.47
HCAR2 Q8TDS4 2/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.42
ATM Q13315 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 4/20 0.35
MDM2 Q00987 2/20 0.35
MDM4 O15151 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
SCHEMBL2616639 0.93 ALDH1A1 (0.56) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL2616640 0.89 HCAR2 (0.57) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL9666690 0.85 NPSR1 (0.43) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL10959675 0.85 NPSR1 (0.43) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL11168141 0.85 NPSR1 (0.43) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL8778884 0.85 NPSR1 (0.43) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL8778882 0.85 NPSR1 (0.43) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL22535225 0.84 ALDH1A1 (0.47) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL2616634 0.84 ALDH1A1 (0.47) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL2616646 0.82 PTGS1 (0.49) ALDH1A1MAPTTDP1KDM4EHSD17B10

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 ALDH1A1 2616/4885MAPT 3415/4885TDP1 3708/4885
US-10800735-B2 Intermediate compound for manufacturing bixin ethyl ester and method of manufacturing the same BRIX1, BROX, CYP4X1 ALDH1A1 2686/4885MAPT 3505/4885TDP1 3782/4885

“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.