SCHEMBL4836629

SCHEMBL4836629

CCC(=NO)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC1 Q13547 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 3/20 0.41
TYR P14679 1/20 0.41
SRD5A2 P31213 1/20 0.41
ATM Q13315 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL4836625 1.00 GAA (0.47) GAAMEN1KMT2AHDAC1RAB9A
SCHEMBL17133996 0.82 GAA (0.46) GAAMEN1KMT2ALMNASRD5A2
SCHEMBL15761193 0.82 GAA (0.46) GAAMEN1KMT2ALMNASRD5A2
SCHEMBL16563626 0.82 GAA (0.46) GAAMEN1KMT2ALMNASRD5A2
SCHEMBL18590280 0.78 EPHX2 (0.38) MEN1KMT2AHDAC1RAB9ANPC1
SCHEMBL13636390 0.77 GAA (0.52) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL10874676 0.77 ESR1 (0.54) GAAMEN1KMT2AMAPTLMNA
SCHEMBL12741450 0.77 ESR1 (0.54) GAAMEN1KMT2AMAPTLMNA
SCHEMBL8910598 0.77 GAA (0.52) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL16563870 0.77 ESR1 (0.54) GAAMEN1KMT2AMAPTLMNA

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
US-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 GAA 2649/4885MEN1 4290/4885KMT2A 416/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 GAA 2012/4885MEN1 4006/4885KMT2A 757/4885

“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.