SCHEMBL16628519

SCHEMBL16628519

CCCCN(C)C(=S)[S-].CCCCN(C)C(=S)[S-].[Mg+2]

nearest known ligand 0.54

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 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 14/20 0.54
CA1 P00915 14/20 0.54
CA9 Q16790 14/20 0.54
CA2 P00918 12/20 0.54
ALDH1A1 P00352 2/20 0.41
ALDH2 P05091 1/20 0.41
CA4 P22748 2/20 0.39
EHMT2 Q96KQ7 2/20 0.39
EHMT1 Q9H9B1 2/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
DNM1 Q05193 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
SCHEMBL16628415 0.95 CA12 (0.54) CA12CA1CA9CA2ALDH1A1
SCHEMBL16628387 0.95 CA1 (0.59) CA12CA1CA9CA2ALDH1A1
SCHEMBL3895938 0.95 CA12 (0.54) CA12CA1CA9CA2ALDH1A1
Potassium Ion SCHEMBL16628378 0.95 CA12 (0.54) CA12CA1CA9CA2ALDH1A1
SCHEMBL6914357 0.91 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL3896548 0.88 CA12 (0.59) CA12CA1CA9CA2ALDH1A1
Zinc Ion SCHEMBL11794913 0.86 CA12 (0.63) CA12CA1CA9CA2ALDH1A1
Potassium Ion SCHEMBL28590611 0.86 CA12 (0.63) CA12CA1CA9CA2CA4
SCHEMBL3896560 0.86 CA12 (0.63) CA12CA1CA9CA2CA4
SCHEMBL16931560 0.86 CA12 (0.63) CA12CA1CA9CA2CA4

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 CA12 4614/4885CA1 4540/4885CA9 4176/4885

“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.