SCHEMBL2616639

SCHEMBL2616639

CCOC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 3/20 0.53
ALOX15 P16050 2/20 0.53
RECQL P46063 2/20 0.53
HCAR2 Q8TDS4 2/20 0.53
TSHR P16473 1/20 0.53
PTGS1 P23219 1/20 0.47
ATM Q13315 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
LMNA P02545 3/20 0.38

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
SCHEMBL2616640 0.96 HCAR2 (0.57) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL22356378 0.93 ALDH1A1 (0.50) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL22535225 0.90 ALDH1A1 (0.47) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL2616634 0.90 ALDH1A1 (0.47) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL2616650 0.87 ALDH1A1 (0.45) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL14406042 0.84 HCAR2 (0.46) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL2630302 0.83 HCAR2 (0.44) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL10977086 0.82 HCAR2 (0.55) ALDH1A1MAPTTDP1KDM4EHSD17B10
SCHEMBL10977088 0.82 HCAR2 (0.55) ALDH1A1MAPTTDP1KDM4EHSD17B10
Diethyl Maleate SCHEMBL135447 0.81 HCAR2 (0.76) ALDH1A1MAPTHSD17B10ALOX15HCAR2

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 9 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
US-9950067-B2 Trans carotenoids, their synthesis, formulation and uses Diffusion Pharmaceuticals, LLC (US) 2018-04-24 US disclosed
US-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES Diffusion Pharmaceuticals, LLC 2016-07-14 US disclosed
US-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES Diffusion Pharmaceuticals, LLC 2016-07-14 US disclosed
US-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2012-04-19 US disclosed
US-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2012-04-19 US disclosed
US-8030350-B2 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2011-10-04 US disclosed
US-8030350-B2 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2011-10-04 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 (4 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-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES TTPA, RBP4, TXNRD2 ALDH1A1 3045/4885MAPT 1885/4885TDP1 4025/4885
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
US-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses TTPA, RBP4, TXNRD2 ALDH1A1 3045/4885MAPT 1885/4885TDP1 4025/4885

“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.