SCHEMBL4078313

SCHEMBL4078313

CC(C)(C)C1CCC(NC(=O)CCCC(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SMYD3 Q9H7B4 1/20 0.46
EPHX2 P34913 3/20 0.45
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
NCOR2 Q9Y618 1/20 0.44
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42

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
SCHEMBL4078312 0.95 EPHX1 (0.56) EPHX1ALDH1A1SMN1; SMN2SMYD3EPHX2
SCHEMBL6645772 0.87 MEN1 (0.54) EPHX1ALDH1A1SMN1; SMN2SMYD3EPHX2
SCHEMBL13544566 0.86 SMN1; SMN2 (0.65) EPHX1ALDH1A1SMN1; SMN2SMYD3EPHX2
SCHEMBL28340112 0.84 GNAI3 (0.61) ALDH1A1SMN1; SMN2HPGDMEN1MAPT
SCHEMBL27892099 0.82 SMN1; SMN2 (0.72) EPHX1ALDH1A1SMN1; SMN2SMYD3EPHX2
SCHEMBL7753207 0.81 EPHX1 (0.53) EPHX1SMYD3EPHX2
SCHEMBL13708632 0.80 SMN1; SMN2 (0.69) EPHX1ALDH1A1SMN1; SMN2EPHX2HDAC3
SCHEMBL4455867 0.80 SMN1; SMN2 (0.69) EPHX1ALDH1A1SMN1; SMN2EPHX2HDAC3
SCHEMBL14242712 0.79 EPHX1 (0.58) EPHX1ALDH1A1SMN1; SMN2EPHX2HPGD
SCHEMBL12384672 0.79 EPHX1 (0.50) EPHX1SMN1; SMN2EPHX2HPGDMAPT

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 EPHX1 935/4885ALDH1A1 158/4885SMN1; SMN2 1061/4885

“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.