SCHEMBL22563760

SCHEMBL22563760

C=CC(=O)OCC#CC(C)(C)OC(=O)C=C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL22563763 0.81 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16351562 0.77 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10936362 0.74 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22271129 0.74 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13899678 0.74
SCHEMBL1051782 0.71 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8346661 0.70 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11314490 0.70
SCHEMBL1253574 0.70 ELANE (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29623652 0.69 ALDH1A1 (0.50) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970443-B2 Crosslinking agent compound and superabsorbent polymer prepared by using the same LG CHEM, LTD. (KR) 2024-04-30 US disclosed
EP-3725762-B1 NOVEL CROSSLINKER COMPOUND AND SUPERABSORBENT POLYMER PREPARED USING SAME LG CHEMICAL LTD (KR) 2024-02-28 EP disclosed
EP-3725762-B1 NOVEL CROSSLINKER COMPOUND AND SUPERABSORBENT POLYMER PREPARED USING SAME LG CHEMICAL LTD (KR) 2024-02-28 EP disclosed
CN-111670176-B Novel crosslinker compounds and superabsorbent polymers prepared by using the same 株式会社LG化学 2023-03-14 CN disclosed
US-20200369595-A1 Novel Crosslinking Agent Compound and Superabsorbent Polymer Prepared by Using the Same LG CHEM, LTD. (KR) 2020-11-26 US disclosed
EP-3725762-A1 NOVEL CROSSLINKER COMPOUND AND SUPERABSORBENT POLYMER PREPARED USING SAME LG CHEM, LTD. (KR) 2020-10-21 EP 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-11970443-B2 Crosslinking agent compound and superabsorbent polymer prepared by using the same NOTUM, PCNA, UROD TSHR 4474/4885ALDH1A1 1979/4885TP53 2809/4885
US-20200369595-A1 Novel Crosslinking Agent Compound and Superabsorbent Polymer Prepared by Using the Same NOTUM, UROD, STOM TSHR 4495/4885ALDH1A1 1828/4885TP53 2965/4885

“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.