SCHEMBL14557693

SCHEMBL14557693

CC(C)CC(=O)N1CCCC1c1cccc(OCCC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ROCK2 O75116 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RIPK1 Q13546 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ AADAT Q8N5Z0 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PSMB8 P28062 1/20 0.38

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
SCHEMBL14611018 0.89 NPC1 (0.45) KDM4EALDH1A1ROCK2NPC1RAB9A
SCHEMBL14569571 0.86 KDM4E (0.44) KDM4EALDH1A1ROCK2NPC1RAB9A
SCHEMBL14557696 0.82 EPHX2 (0.43) HPGDRIPK1KMT2AMEN1ADAM17
SCHEMBL20905412 0.80 RIPK1 (0.59) KDM4ERIPK1ADAM17PSMB8
SCHEMBL14611259 0.80 RIPK1 (0.44) RIPK1KMT2AMEN1ADAM17AADAT
SCHEMBL14557706 0.75 HRH3 (0.46) HPGDRIPK1KMT2AMEN1NPSR1
SCHEMBL14557708 0.73 EPHX2 (0.41) RIPK1ADAM17
SCHEMBL14557703 0.73 ROCK2 (0.40) ROCK2RIPK1NPSR1
SCHEMBL14610878 0.72 RIPK1 (0.46) RIPK1KMT2AMEN1NPSR1
SCHEMBL14557753 0.71 CHRNB4 (0.45) KDM4EALDH1A1NPC1RAB9AHPGD

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 KDM4E 409/4885ALDH1A1 120/4885ROCK2 1291/4885

“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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