SCHEMBL16640368

SCHEMBL16640368

CCCCCCCNCCOC(=O)NCCCC

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.71
EPHX1 P07099 2/20 0.59
EPHX2 P34913 2/20 0.54

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
SCHEMBL5246533 0.95 ACHE (0.78) ACHEEPHX1
SCHEMBL9812806 0.93 ACHE (0.81) ACHEEPHX1
SCHEMBL5244780 0.91 ACHE (0.86) ACHEEPHX1EPHX2
SCHEMBL20588996 0.91 ACHE (0.79) ACHEEPHX1EPHX2
SCHEMBL5247986 0.89 ACHE (0.82) ACHEEPHX1EPHX2
SCHEMBL13660365 0.89 ACHE (0.65) ACHEEPHX1EPHX2
SCHEMBL20580780 0.87 ACHE (0.79) ACHEEPHX1EPHX2
SCHEMBL6289600 0.87 ACHE (0.79) ACHEEPHX1EPHX2
SCHEMBL13700167 0.87 ACHE (0.84) ACHEEPHX1EPHX2
SCHEMBL6289704 0.86 ACHE (0.63) ACHEEPHX1

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
WO-2015057894-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE AND POLYCYSTIC LIVER DISEASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-23 WO disclosed
US-20150105361-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE AND POLYCYSTIC LIVER DISEASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-16 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-20150105361-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE AND POLYCYSTIC LIVER DISEASE PKD1, PKD2, GLS ACHE 4884/4885EPHX1 3481/4885EPHX2 3542/4885

“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.