SCHEMBL16628376

SCHEMBL16628376

CC(C)NC(O)=S.NC(O)=S.[NaH]

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL1286393 0.97 NPSR1 (0.33) NPSR1HTTKMT2ATDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL28489275 0.94 NPSR1 (0.32) NPSR1HTTKMT2ATDP1ALDH1A1
SCHEMBL16628390 0.94 NPSR1 (0.32) NPSR1HTTKMT2ATDP1ALDH1A1
Selenium SCHEMBL11492109 0.94 NPSR1 (0.32) NPSR1HTTKMT2ATDP1ALDH1A1
SCHEMBL3601563 0.88
Isopropylamine SCHEMBL11662673 0.86 DPP4 (0.36) NPSR1KMT2AALDH1A1GAADPP4
Propene SCHEMBL11591674 0.85 TSHR (0.38) ALDH1A1GAA
SCHEMBL28034224 0.85
SCHEMBL8137760 0.82 MEN1 (0.47) KMT2A
SCHEMBL8733216 0.78 DPP4 (0.30) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745126-A Heavy metal wastewater treatment method and application 深圳市清源净水器材有限公司 2023-03-07 CN disclosed
EP-2860170-B1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL IND LTD (JP) 2019-08-28 EP disclosed
US-9670129-B2 Process for preparing 4-hydroxybutyl acrylate OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-06-06 US disclosed
US-20150126766-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2015-05-07 US disclosed
EP-2860170-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE Osaka Organic Chemical Ind., Ltd. (JP) 2015-04-15 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 (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-20150126766-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE LTB4R2, LTA4H, LTB4R NPSR1 3773/4885HTT 1247/4885KMT2A 3962/4885

“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.