SCHEMBL16628562

SCHEMBL16628562

CCC(C)NC(O)=S.NC(O)=S.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 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
SCHEMBL17514080 0.98 CA12 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL16628395 0.95 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL3610449 0.91
SCHEMBL16628379 0.83 POLB (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL16628367 0.79 CA12 (0.35) CA12CA1CA2CA9KDM4E
SCHEMBL16628388 0.78 POLB (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL1369361 0.78
SCHEMBL3186057 0.78
SCHEMBL1369358 0.78
SCHEMBL4625897 0.77 TAS1R3 (0.39) CA1CA2POLB

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 4540/4885CA2 4547/4885

“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.