Sugi Predict

Sugi Predict / Compounds / SCHEMBL2616638

SCHEMBL2616638

SCHEMBL2616638

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.44
▸ ALDH1A1 P00352 8/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL14406059 0.93 GLO1 (0.43) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL2630514 0.93 GLO1 (0.43) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL2616649 0.93 PTGS1 (0.47) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL2616636 0.90 PTGS1 (0.49) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL2616632 0.90 GLO1 (0.41) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL14406057 0.88 GLO1 (0.40) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL2630302 0.88 HCAR2 (0.44) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL2616637 0.84 PTGS1 (0.40) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL1679803 0.83 GLO1 (0.56) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL1679802 0.83 GLO1 (0.56) GLO1NPSR1ALDH1A1LMNAHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES TTPA, RBP4, TXNRD2 GLO1 1738/4885NPSR1 2238/4885ALDH1A1 3045/4885
US-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses TTPA, RBP4, TXNRD2 GLO1 1738/4885NPSR1 2238/4885ALDH1A1 3045/4885

“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.