SCHEMBL4075780

SCHEMBL4075780

O=C(CCCC(=O)Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.84
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 3/20 0.70
ALDH1A1 P00352 2/20 0.70
LMNA P02545 1/20 0.65

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
SCHEMBL4075782 0.96 LTA4H (0.78) LTA4HMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15480394 0.92 LTA4H (0.76) LTA4HMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL21067844 0.92 LTA4H (1.00) LTA4HMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15480412 0.90 LTA4H (0.74) LTA4HMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL21067416 0.86 LTA4H (1.00) LTA4HMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7364137 0.86 HDAC3 (0.74) LTA4HMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL2170643 0.85 LTA4H (0.76) LTA4HMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5659338 0.85 LTA4H (0.76) LTA4HMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7932279 0.85 LTA4H (0.76) LTA4HMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3224230 0.85 LTA4H (0.76) LTA4HMEN1KMT2ARAB9ASMN1; SMN2

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 4 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
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP disclosed
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 LTA4H 2104/4885MEN1 713/4885KMT2A 3604/4885

“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.