SCHEMBL2072959

SCHEMBL2072959

Cc1[c]c2cc(C(C)(C)C)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.43
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
SCN10A Q9Y5Y9 4/20 0.36
KCNH2 Q12809 1/20 0.36
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1D P28221 3/20 0.34
GHSR Q92847 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33
GABRA1 P14867 1/20 0.32

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
SCHEMBL1492708 0.73 LMNA (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL6015758 0.73 CYP2A6 (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL2073232 0.73 GAA (0.38) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL2071613 0.70 KIF11 (0.40) KIF11ALDH1A1MEN1KMT2AGAA
SCHEMBL2074318 0.70 KDM4E (0.50) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL28463442 0.68 KIF11 (0.41) KIF11ALDH1A1MEN1KMT2AGAA
SCHEMBL29361452 0.67 KIF11 (0.81) KIF11ALDH1A1MEN1KMT2AMAPT
SCHEMBL29535 0.67 KIF11 (0.81) KIF11ALDH1A1MEN1KMT2AMAPT
SCHEMBL29547 0.67 AHR (0.37) KIF11ALDH1A1MEN1KMT2AGAA
SCHEMBL2072913 0.67 GRIA1 (0.49) ALDH1A1MEN1KMT2AGAAMAPT

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-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 KIF11 747/4885ALDH1A1 422/4885MEN1 2981/4885

“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.