SCHEMBL14557706

SCHEMBL14557706

CC(C)CC(=O)N1CCCC1c1ccc(CCC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.46
▸ EPHX2 P34913 2/20 0.44
▸ RIPK1 Q13546 1/20 0.42
▸ PPID Q08752 1/20 0.42
▸ PRCP P42785 4/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADAM17 P78536 1/20 0.39

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
SCHEMBL14610872 0.86 HRH3 (0.48) HRH3EPHX2RIPK1PPIDPRCP
SCHEMBL14557696 0.86 EPHX2 (0.43) EPHX2RIPK1PPIDMEN1KMT2A
SCHEMBL14569486 0.84 HRH3 (0.50) HRH3EPHX2RIPK1PPIDPRCP
SCHEMBL20905412 0.83 RIPK1 (0.59) EPHX2RIPK1PPIDADAM17
SCHEMBL14610878 0.83 RIPK1 (0.46) EPHX2RIPK1PPIDMEN1KMT2A
SCHEMBL14611259 0.77 RIPK1 (0.44) EPHX2RIPK1PPIDMEN1KMT2A
SCHEMBL25884649 0.76 EPHX2 (0.63) EPHX2RIPK1PPIDPRCPMEN1
SCHEMBL14557693 0.75 KDM4E (0.41) RIPK1MEN1KMT2ANPSR1HPGD
SCHEMBL14557708 0.75 EPHX2 (0.41) EPHX2RIPK1PPIDADAM17
SCHEMBL14557703 0.74 ROCK2 (0.40) HRH3RIPK1NPSR1

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
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 HRH3 1894/4885EPHX2 3415/4885RIPK1 4081/4885

“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.

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