SCHEMBL13635633

SCHEMBL13635633

CC(C)CN1CCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PIK3CD O00329 4/20 0.48
MAPT P10636 2/20 0.44
ATM Q13315 2/20 0.44
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
CYP2D6 P10635 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
CHRM2 P08172 2/20 0.40
ADRA2B P18089 2/20 0.40
DRD3 P35462 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL19969742 1.00 MEN1 (0.55) MEN1KMT2APIK3CDMAPTATM
SCHEMBL425336 1.00 MEN1 (0.55) MEN1KMT2APIK3CDMAPTATM
SCHEMBL426509 1.00 MEN1 (0.55) MEN1KMT2APIK3CDMAPTATM
Water SCHEMBL28465237 0.97 MEN1 (0.52) MEN1KMT2APIK3CDMAPTATM
Hydrochloric Acid SCHEMBL991507 0.97 MEN1 (0.52) MEN1KMT2APIK3CDMAPTATM
SCHEMBL4924066 0.97
SCHEMBL101925 0.97
Iodide SCHEMBL31035714 0.94 PIK3CD (0.48) MEN1KMT2APIK3CDMAPTATM
Ammonia Solution, Strong SCHEMBL18106936 0.94 PIK3CD (0.48) MEN1KMT2APIK3CDMAPTATM
SCHEMBL426429 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304451-B2 Histone deacetylase and tubulin deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-06 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 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-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 MEN1 4444/4885KMT2A 360/4885PIK3CD 3431/4885

“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.