SCHEMBL19397702

SCHEMBL19397702

COc1ccc([C@@H]([C@H](C)C(C)C)N(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
AOC3 Q16853 3/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KAT2B Q92831 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ACHE P22303 1/20 0.39
ALOX5 P09917 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL17571708 0.88 SLC2A1 (0.50) SLC2A1AOC3CA1CA2CA12
SCHEMBL19397688 0.83 KAT2B (0.44) KAT2BALDH1A1MAPK1MEN1KMT2A
SCHEMBL19397759 0.80 KAT2B (0.47) KAT2BTSHR
SCHEMBL19402454 0.78 KAT2B (0.49) SLC2A1AOC3CA1CA2CA12
SCHEMBL19397742 0.77 KAT2B (0.48) SLC2A1AOC3CA1CA2CA12
SCHEMBL19397756 0.76 ESR1 (0.48) KAT2BALDH1A1TDP1SLC6A2SLC6A4
SCHEMBL16291506 0.75 SLC2A1 (0.53) SLC2A1AOC3CA1CA2CA12
SCHEMBL19397694 0.75 KDM4E (0.47) AOC3KAT2BALDH1A1TDP1SLC6A2
SCHEMBL19397696 0.74 KAT2B (0.50) KAT2BTDP1
SCHEMBL19397682 0.74 KAT2B (0.52) KAT2BL3MBTL1SLC6A2ALOX5CYP1A2

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-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 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-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 SLC2A1 3120/4885AOC3 4484/4885CA1 3721/4885

“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.