SCHEMBL4080945

SCHEMBL4080945

CCC(C)c1ccc(NC(=O)CCCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
POLB P06746 2/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPT P10636 2/20 0.54
HSD17B10 Q99714 1/20 0.51
HTR1A P08908 3/20 0.49
HTR7 P34969 3/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A1 P04798 1/20 0.47

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
SCHEMBL4078138 0.94 TSHR (0.71) TSHRPOLBALDH1A1L3MBTL1MEN1
SCHEMBL7107371 0.82 POLB (0.82) POLBALDH1A1GAAL3MBTL1MEN1
SCHEMBL14237971 0.81 TSHR (0.76) TSHRPOLBALDH1A1GAAMEN1
SCHEMBL7828620 0.81 ALDH1A1 (0.70) POLBALDH1A1GAAL3MBTL1MEN1
SCHEMBL16745695 0.81 TSHR (0.50) TSHRPOLBALDH1A1GAAMEN1
SCHEMBL16745698 0.79 TSHR (0.49) TSHRPOLBALDH1A1MEN1KMT2A
SCHEMBL2097639 0.79 TSHR (0.68) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL7824236 0.78 HDAC3 (0.71) POLBALDH1A1GAAL3MBTL1MEN1
SCHEMBL16745697 0.78 TSHR (0.48) TSHRPOLBALDH1A1MEN1KMT2A
Alcohol SCHEMBL5325211 0.78 POLB (0.54) POLBALDH1A1GAAL3MBTL1MEN1

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 TSHR 4464/4885POLB 1568/4885ALDH1A1 158/4885

“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.