SCHEMBL3415938

SCHEMBL3415938

[C-]#[N+]c1cccc(CCCC(=O)OCC)c1CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.40
DRD2 P14416 1/20 0.40
CYP4Z1 Q86W10 1/20 0.37
CYP4F11 Q9HBI6 1/20 0.37
CYP4F12 Q9HCS2 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
TBXAS1 P24557 1/20 0.37
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL12602226 0.78 CYP4F2 (0.46) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL2135834 0.78 CYP4F2 (0.50) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2133804 0.75 CYP4F2 (0.47) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL3419440 0.75 CYP4F2 (0.47) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2133732 0.74 CYP4F2 (0.55) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL765000 0.72 CYP4F2 (0.62) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL28072636 0.72 CYP4F2 (0.58) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7722448 0.71 CYP4F2 (0.70) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL11659499 0.70 CYP4F2 (0.57) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL27501901 0.70 CYP4F2 (0.57) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4

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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 CYP4F2 1427/4885CYP4A11 571/4885SMN1; SMN2 1408/4885

“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.