SCHEMBL6865487

SCHEMBL6865487

CC(C)(C)C1(C(C)(C)C)OCNc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
KDM1A O60341 1/20 0.33
MAPK1 P28482 1/20 0.33
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL11729902 0.76 PDK2 (0.38) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL6881522 0.71 ALDH1A1 (0.43) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL6883483 0.71 POLB (0.36) ALDH1A1POLB
SCHEMBL6865405 0.68 KDM1A (0.36) POLBMEN1KMT2AGAAKDM1A
SCHEMBL13109889 0.68 SLC6A4 (0.35)
SCHEMBL13109887 0.68 PDK2 (0.43) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL24736532 0.67 BACE1 (0.41) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL31306861 0.67 CYP2D6 (0.36) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL17203069 0.66 BACE1 (0.44) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL17202972 0.64 HTR2A (0.43) ALDH1A1POLBMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 ALDH1A1 77/4885POLB 2103/4885MEN1 1546/4885

“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.