SCHEMBL20158183

SCHEMBL20158183

C=CC(=O)OCCNC(=O)CCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.63
LPAR2 Q9HBW0 2/20 0.63
ENPP2 Q13822 1/20 0.63
EPHX2 P34913 2/20 0.59
CNR1 P21554 5/20 0.59
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
SLC6A5 Q9Y345 2/20 0.58
TRPV1 Q8NER1 1/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
ALOX12 P18054 1/20 0.58
BLM P54132 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL31477863 1.00 LPAR1 (0.63) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL30121599 0.93 TSHR (0.57) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL30259226 0.93 TSHR (0.57) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL30258755 0.93 TSHR (0.57) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL7925576 0.93 TSHR (0.57) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL25328275 0.93 TSHR (0.57) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL30757948 0.93 TSHR (0.57) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL30646054 0.86 TSHR (0.57) LPAR1LPAR2ENPP2CNR1ALDH1A1
SCHEMBL30960413 0.85 TSHR (0.51) LPAR1LPAR2ENPP2EPHX2CNR1
SCHEMBL23553257 0.85 TSHR (0.51) LPAR1LPAR2ENPP2EPHX2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134829-A1 PREPARATION OF MALEATE AND MALEIMIDE MONOMERS AND POLYMERIC MATERIALS FROM TRIGLYCERIDES UNIVERSITY OF SOUTH CAROLINA 2018-05-17 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 (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-20180134829-A1 PREPARATION OF MALEATE AND MALEIMIDE MONOMERS AND POLYMERIC MATERIALS FROM TRIGLYCERIDES FASN, SCD, MTR LPAR1 2739/4885LPAR2 3024/4885ENPP2 2208/4885

“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.