SCHEMBL21998911

SCHEMBL21998911

CCCCCCCCCC(=O)Nc1ccc(CCCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.64
ENPP2 Q13822 1/20 0.63
DGAT2 Q96PD7 1/20 0.63
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 2/20 0.59
POLB P06746 1/20 0.58
TRPV1 Q8NER1 1/20 0.57
S1PR3 Q99500 2/20 0.57
S1PR2 O95136 1/20 0.57
SOAT2 O75908 1/20 0.57
SOAT1 P35610 1/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57

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
SCHEMBL21998748 1.00 S1PR1 (0.64) S1PR1ENPP2DGAT2GAAL3MBTL1
SCHEMBL21998913 1.00 S1PR1 (0.64) S1PR1ENPP2DGAT2GAAL3MBTL1
SCHEMBL21998692 0.93 ENPP2 (0.64) S1PR1ENPP2DGAT2GAAL3MBTL1
SCHEMBL21998677 0.93 ENPP2 (0.64) S1PR1ENPP2DGAT2GAAL3MBTL1
SCHEMBL21998660 0.93 ENPP2 (0.64) S1PR1ENPP2DGAT2GAAL3MBTL1
SCHEMBL4084296 0.91 POLB (0.66) S1PR1GAAL3MBTL1HPGDPOLB
SCHEMBL25269210 0.91 ENPP2 (0.69) S1PR1ENPP2DGAT2HPGDPOLB
SCHEMBL27909135 0.91 ENPP2 (0.69) S1PR1ENPP2DGAT2HPGDPOLB
SCHEMBL27663784 0.90 HPGD (0.67) S1PR1ENPP2DGAT2HPGDPOLB
SCHEMBL28282169 0.87 SOAT2 (0.66) ENPP2DGAT2HPGDPOLBTRPV1

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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-05-14 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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, SHH S1PR1 3922/4885ENPP2 2151/4885DGAT2 1210/4885

“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.