SCHEMBL7563548

SCHEMBL7563548

CCCCC(CC)NC(C)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.37
CYP3A4 P08684 1/20 0.37
CA2 P00918 6/20 0.36
CA1 P00915 4/20 0.36
MAPK1 P28482 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
PLA2G2C Q5R387 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC15A1 P46059 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL6805820 0.93 SPHK1 (0.42) CYP3A4CA1SPHK1FDPS
SCHEMBL118939 0.91 SPHK1 (0.45) CYP3A4SPHK1
SCHEMBL11800205 0.91 SPHK1 (0.45) CYP3A4SPHK1
SCHEMBL11801890 0.91 SPHK1 (0.45) CYP3A4SPHK1
SCHEMBL7567092 0.91 SPHK1 (0.45) CYP3A4SPHK1
SCHEMBL11798137 0.91 SPHK1 (0.45) CYP3A4SPHK1
SCHEMBL21325717 0.91 SPHK1 (0.37) ALDH1A1TSHRCYP3A4CA2CA1
SCHEMBL27188579 0.86 SPHK1 (0.43) CYP3A4CA2CA1SPHK1PLA2G2C
SCHEMBL20632266 0.86 TSHR (0.36) TSHRTDP1SMN1; SMN2
SCHEMBL2058301 0.86 TSHR (0.36) TSHRTDP1SMN1; SMN2

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 13 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
EP-3015449-B1 (METH)ACRYLATE PRODUCTION SYSTEM OSAKA ORGANIC CHEMICAL IND LTD (JP) 2018-10-10 EP disclosed
CN-105339341-B Production system for (meth) acrylic acid ester 大阪有机化学工业株式会社 2018-02-13 CN disclosed
US-9670129-B2 Process for preparing 4-hydroxybutyl acrylate OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-06-06 US disclosed
US-20160136538-A1 (METH)ACRYLATE PRODUCTION SYSTEM OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-05-19 US disclosed
EP-3015449-A1 (METH)ACRYLATE PRODUCTION SYSTEM Osaka Organic Chemical Ind., Ltd. (JP) 2016-05-04 EP disclosed
CN-105339341-A Production system for (meth) acrylic acid ester OSAKA ORGANIC CHEM IND 2016-02-17 CN 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
CN-104220413-A Method for producing 4-hydroxybutyl acrylate OSAKA ORGANIC CHEM IND 2014-12-17 CN disclosed
EP-0906902-B1 A method for the production of an alkylamino (meth)acrylate and apparatus therefor. NIPPON CATALYTIC CHEM IND (JP) 2002-08-28 EP disclosed
US-6417392-B1 CATALYTIC ESTER INTERCHANGE OF ALKYL (METH)ACRYLATE AND ALKYLAMINO ALCOHOL; DISTILLATION OF ALKYL ALCOHOL BY-PRODUCT IN AZEOTROPIC MIXTURE WITH ALKYL (METH)ACRYLATE; PURIFICATION USING ION EXCHANGE RESIN NIPPON SHOKUBAI CO., LTD. (JP) 2002-07-09 US disclosed
EP-0906902-A2 A method for the production of an alkylamino (meth)acrylate and apparatus therefor. NIPPON SHOKUBAI CO., LTD. (JP) 1999-04-07 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 ALDH1A1 261/4885TSHR 3002/4885CYP3A4 31/4885

“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.