SCHEMBL5000222

SCHEMBL5000222

COC(=O)C(CO)CCCO

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MME P08473 2/20 0.40
ZDHHC7 Q9NXF8 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TGFBR1 P36897 1/20 0.34
BIRC2 Q13490 2/20 0.34
FOLH1 Q04609 1/20 0.34
CYP4A11 Q02928 2/20 0.32
CYP4F2 P78329 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C9 P11712 1/20 0.32
MIF P14174 1/20 0.32
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 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
SCHEMBL2181944 0.94 CA1 (0.52) CA1CA2MMEZDHHC7KMT2A
SCHEMBL5000153 0.86 CA1 (0.47) CA1CA2MMEZDHHC7KMT2A
SCHEMBL27846410 0.85 CA2 (0.74) CA1CA2MMEZDHHC7TSHR
SCHEMBL5696619 0.85 CA2 (0.74) CA1CA2ZDHHC7KMT2ATSHR
SCHEMBL27768349 0.83 CA2 (0.66) CA1CA2ZDHHC7KMT2AMEN1
SCHEMBL25909345 0.82 CA2 (0.63) CA1CA2ZDHHC7KMT2AMEN1
SCHEMBL701087 0.82 CA2 (0.63) CA1CA2ZDHHC7KMT2AMEN1
SCHEMBL14012605 0.81
SCHEMBL5000143 0.81 CPB2 (0.47) CA1CA2KMT2AMEN1CYP4A11
SCHEMBL10612507 0.80 CA1 (0.47) CA1CA2MMEZDHHC7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989438-A Polyester dendritic polymer and preparation method and application thereof 中国石油化工股份有限公司 2022-09-02 CN claimed
US-7241914-B2 Method for producing polyesterpolyols of polyvalent alcohols BASF AKTIENGESELLSCHAFT (DE) 2007-07-10 US claimed
US-20050148802-A1 Method for producing polyetherols BASF AKTIENGESELLSCHAFT 2005-07-07 US claimed
US-20050010065-A1 Method for producing (meth) acrylic acid esters of polyhydric alcohols BASF AKTIENGESELLSCHAFT (DE) 2005-01-13 US claimed
CN-114989438-A Polyester dendritic polymer and preparation method and application thereof 中国石油化工股份有限公司 2022-09-02 CN disclosed
US-20170327626-A1 METHOD FOR PRODUCING RADIATION-CURABLE URETHANE (METH)ACRYLATES UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA 2017-11-16 US disclosed
US-7420013-B2 Mixtures of compounds comprising at least two double bonds and use thereof BASF AKTIENGESELLSCHAFT (DE) 2008-09-02 US disclosed
US-7250481-B2 Reacting polyalcohol with at least one ethylenically unsaturated carboxylic acid in the presence of at least one esterification catalyst and of at least one polymerization inhibitor, polymerizing the reaction mixture, in the presence of at least one radical initiator, postcrosslinking, drying BASF AKTIENGESELLSCHAFT (DE) 2007-07-31 US disclosed
US-7241914-B2 Method for producing polyesterpolyols of polyvalent alcohols BASF AKTIENGESELLSCHAFT (DE) 2007-07-10 US disclosed
US-20070129564-A1 Method for the production of (meth)acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
US-20060235141-A1 Mixtures of compounds comprising at least two double bonds and use thereof BASF AKTIENGESELLSCHAFT (DE) 2006-10-19 US disclosed
US-20060052571-A1 Method for the production of radiation-curable urethane (meth) acrylates BASF AKITIENGESELLSCHAFT (DE) 2006-03-09 US disclosed
US-20050203268-A1 Method for producing polyesterpolyols of polyvalent alcohols BASF AKTIENGESELLSCHAFT (DE) 2005-09-15 US disclosed
US-20050176910-A1 Method for the production of esters of polyalcohols BASF AKTIENGESELLSCHAFT (DE) 2005-08-11 US disclosed
US-20050148802-A1 Method for producing polyetherols BASF AKTIENGESELLSCHAFT 2005-07-07 US disclosed
US-20050010065-A1 Method for producing (meth) acrylic acid esters of polyhydric alcohols BASF AKTIENGESELLSCHAFT (DE) 2005-01-13 US 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 (4 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-20070129564-A1 Method for the production of (meth)acrylic acid esters MMAB, ACR, MCCC2 CA1 2048/4885CA2 3918/4885MME 1908/4885
US-20050010065-A1 Method for producing (meth) acrylic acid esters of polyhydric alcohols ADH1A, ADH1C, ADH5 CA1 700/4885CA2 3346/4885MME 1035/4885
US-20050148802-A1 Method for producing polyetherols ADH1A, ADH1C, ADH5 CA1 1429/4885CA2 3577/4885MME 2495/4885
US-20050203268-A1 Method for producing polyesterpolyols of polyvalent alcohols ADH1C, ADH1A, ADH5 CA1 540/4885CA2 1204/4885MME 2517/4885

“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.