SCHEMBL4081226

SCHEMBL4081226

CCCCc1ccc(NC(=O)CCCC(=O)Nc2ccc(CCCC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
HPGD P15428 3/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
ALDH1A1 P00352 2/20 0.68
HDAC3 O15379 3/20 0.62
HDAC4 P56524 3/20 0.62
HDAC1 Q13547 3/20 0.62
HDAC7 Q8WUI4 3/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC10 Q969S8 3/20 0.62
HDAC11 Q96DB2 3/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC9 Q9UKV0 3/20 0.62
HDAC5 Q9UQL6 3/20 0.62
ENPP2 Q13822 1/20 0.60
DGAT2 Q96PD7 1/20 0.60
TRPV1 Q8NER1 2/20 0.58

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
SCHEMBL13716202 0.97 POLB (0.73) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4084296 0.94 POLB (0.66) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9842929 0.93 POLB (0.73) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL27663784 0.92 HPGD (0.67) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL25269210 0.90 ENPP2 (0.69) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL27909135 0.90 ENPP2 (0.69) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9312715 0.89 POLB (0.84) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10112827 0.89 POLB (0.64) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2619349 0.88 POLB (0.76) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3016010 0.87 POLB (0.61) POLBHPGDNPC1RAB9ASMN1; 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 POLB 1568/4885HPGD 96/4885NPC1 46/4885

“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.