SCHEMBL16240318

SCHEMBL16240318

COC(=O)NCCCC[O]

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.65
ACHE P22303 8/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9602960 0.93
SCHEMBL7252127 0.90 EPHX1 (0.77) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL717081 0.87 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL14252129 0.87 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL7788937 0.87 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL7788927 0.87 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL7788569 0.87 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL14433357 0.85 EPHX1 (0.70) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL23735538 0.83 EPHX1 (0.68) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL499170 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2808324-A1 PYRROLE COMPOUND Kabushiki Kaisha Yakult Honsha (JP) 2014-12-03 EP disclosed
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 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-20140343017-A1 PYRROLE COMPOUND TUBB3, TUBB1, TUBB EPHX1 4784/4885ACHE 4458/4885TDP1 2710/4885

“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.