SCHEMBL16628522

SCHEMBL16628522

CCCC(C)NC([O-])=S.NC([O-])=S.[Mg+2]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 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
SCHEMBL16628418 0.96 POLB (0.38) POLBKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL3895942 0.96 POLB (0.38) POLBKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL3896553 0.85 TAS1R3 (0.37) ALDH1A1LMNACA1CA2
SCHEMBL16628523 0.83 CA12 (0.48) POLBKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL3896564 0.83 CA1 (0.40) ALDH1A1LMNACA1CA2NFKB1
Zinc Ion SCHEMBL10339254 0.79 CA12 (0.48) POLBKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL3898868 0.79 CA12 (0.48) POLBKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL3906390 0.79 TAS1R3 (0.36) CYP3A4TSHRNFKB1NPSR1
SCHEMBL16628419 0.79 CA12 (0.48) POLBKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL21064666 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 2218/4885KMT2A 3962/4885ALDH1A1 261/4885

“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.