SCHEMBL735649

SCHEMBL735649

C=CC(=O)CCOP(=O)(OCCC(=O)C=C)OCCC(=O)C=C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.37
ALDH1A1 P00352 5/20 0.37
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
CYP3A4 P08684 3/20 0.34
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
BTN3A1 O00481 1/20 0.31

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
SCHEMBL2140462 0.84 LPAR3 (0.52) TSHRALDH1A1LPAR2LPAR3BTN3A1
SCHEMBL31579105 0.84 BTN3A1 (0.41) TSHRALDH1A1LPAR2LPAR3CYP3A4
SCHEMBL735650 0.78 TSHR (0.34) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL553911 0.76
SCHEMBL27342790 0.75 TSHR (0.43) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL30583614 0.75 TSHR (0.48) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL9420567 0.73
SCHEMBL11405961 0.73
SCHEMBL4670993 0.72 LPAR3 (0.53) TSHRALDH1A1LPAR2LPAR3CYP3A4
SCHEMBL10633536 0.72 ALDH1A1 (0.33) TSHRALDH1A1LPAR2LPAR3

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-8137849-B2 Phosphate-based acrylate crosslinking agent for polymer electrolyte and a composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-20 US disclosed
US-20100003604-A1 Phosphate-Based Acrylate Crosslinking Agent for Polymer Electrolyte and a Composition Containing the Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-07 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-20100003604-A1 Phosphate-Based Acrylate Crosslinking Agent for Polymer Electrolyte and a Composition Containing the Same PNKP, ACP1, PTPA TSHR 4377/4885ALDH1A1 2311/4885LPAR2 1328/4885

“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.