SCHEMBL4075332

SCHEMBL4075332

O=C(O)CCCC(=O)NC1CCCC1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
P2RX7 Q99572 1/20 0.48
EPHX1 P07099 1/20 0.47
MERTK Q12866 9/20 0.46
AXL P30530 6/20 0.46
MET P08581 1/20 0.46
TYRO3 Q06418 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNA5 P22460 1/20 0.44
PTGES O14684 3/20 0.44
PTGS2 P35354 3/20 0.44

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
SCHEMBL4075331 0.96 P2RX7 (0.50) EPHX2P2RX7EPHX1MERTKAXL
SCHEMBL14534809 0.81 MERTK (0.53) P2RX7MERTKAXLMETTYRO3
SCHEMBL12629181 0.81 P2RX7 (0.52) P2RX7MERTKAXLMETTYRO3
SCHEMBL13324324 0.81 P2RX7 (0.52) P2RX7MERTKAXLMETTYRO3
SCHEMBL27701237 0.80 KCNA5 (0.53) P2RX7MERTKAXLMETTYRO3
SCHEMBL251309 0.80 P2RX7 (0.38) EPHX2P2RX7MERTKAXLMET
SCHEMBL2064031 0.78 KCNA5 (0.51) P2RX7MERTKAXLMETTYRO3
SCHEMBL13302610 0.78 MERTK (0.49) P2RX7MERTKAXLMETTYRO3
SCHEMBL5435734 0.76 KMT2A (0.54) P2RX7MERTKAXLMETTYRO3
SCHEMBL5645993 0.76 KMT2A (0.54) P2RX7MERTKAXLMETTYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD EPHX2 1203/4885P2RX7 2220/4885EPHX1 935/4885

“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.