SCHEMBL16628388

SCHEMBL16628388

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
CYP2D6 P10635 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
SCHEMBL16628379 0.96 POLB (0.42) POLBKMT2ANPC1RAB9AALDH1A1
SCHEMBL789714 0.91
SCHEMBL16931558 0.86 ADH1B (0.39) ALDH1A1LMNA
SCHEMBL4625897 0.86 TAS1R3 (0.39) POLBCA1CA2
SCHEMBL16628395 0.83 CA12 (0.50) POLBKMT2ARAB9AALDH1A1LMNA
SCHEMBL16931561 0.82 ADH1B (0.39) ALDH1A1LMNA
SCHEMBL21064666 0.80
SCHEMBL17514080 0.80 CA12 (0.52) POLBKMT2ARAB9AALDH1A1LMNA
SCHEMBL16628562 0.78 CA12 (0.50) POLBKMT2ARAB9AALDH1A1LMNA
SCHEMBL1829144 0.78 TAS1R3 (0.42) POLBCA12CA1CA2CA9

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 3962/4885NPC1 3517/4885

“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.