SCHEMBL4916433

SCHEMBL4916433

CC(C)(C)c1ccc(C(=O)N2CCCC2C(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SPHK1 Q9NYA1 6/20 0.51
SPHK2 Q9NRA0 5/20 0.51
CA2 P00918 1/20 0.50
PDK2 Q15119 1/20 0.50
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
DPP4 P27487 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL4916442 1.00 ALDH1A1 (0.52) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL16283732 0.87 ALDH1A1 (0.62) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL20665169 0.84 PDK2 (0.52) SPHK1SPHK2PDK2
SCHEMBL13777926 0.84 DPP4 (0.59) ALDH1A1SPHK1SPHK2CA2PDK2
SCHEMBL4928733 0.84 MMP2 (0.52) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL4928721 0.84 MMP2 (0.52) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL95494 0.82 SPHK1 (0.55) ALDH1A1SPHK1SPHK2CA2PDK2
SCHEMBL13431541 0.82 HSD11B1 (0.49) SPHK1SPHK2PDK2DPP4HPGD
SCHEMBL13753547 0.81 HPGD (0.71) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL11251209 0.81 SPHK2 (0.62) SPHK1SPHK2CA2PDK2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US claimed
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 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 (2 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 ALDH1A1 28/4885MEN1 1562/4885HTT 2317/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 ALDH1A1 27/4885MEN1 1683/4885HTT 2202/4885

“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.