SCHEMBL19397755

SCHEMBL19397755

COC(=O)c1ccc([C@@H]([C@H](C)C(C)C)N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA7 P43166 1/20 0.46
RAB9A P51151 3/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
ROCK2 O75116 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 1/20 0.42
NOTUM Q6P988 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL17571721 0.90 CA1 (0.48) KAT2BCA1CA2CA12CA9
SCHEMBL19397705 0.86 CA12 (0.53) KAT2BCA1CA2CA12CA9
SCHEMBL28505889 0.84 KAT2B (0.46) KAT2BCA1CA2CA12CA9
SCHEMBL19402461 0.84 KAT2B (0.52) KAT2BCA1CA2CA12CA9
SCHEMBL17571687 0.84 KAT2B (0.46) KAT2BCA1CA2CA12CA9
SCHEMBL19397714 0.81 TP53 (0.43) KAT2BCA1CA2CA12CA9
SCHEMBL19397772 0.81 KAT2B (0.50) KAT2BCA1CA2CA12CA9
SCHEMBL19377003 0.79 POLB (0.43) KAT2BCA1CA2CA12CA9
SCHEMBL28508136 0.79 POLB (0.43) KAT2BCA1CA2CA12CA9
SCHEMBL19397758 0.78 ALDH1A1 (0.59) KAT2BTDP1RAB9ATSHRHPGD

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-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
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 KAT2B 41/4885CA1 3721/4885CA2 2352/4885

“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.