SCHEMBL19397758

SCHEMBL19397758

CC(C)[C@@H](C)[C@H](c1ccc(C(=O)OCc2ccccc2)cc1)N(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
MAPT P10636 6/20 0.59
HPGD P15428 3/20 0.59
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 3/20 0.55
KAT2B Q92831 1/20 0.53
RAB9A P51151 3/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
CYP3A4 P08684 3/20 0.46
KDM4E B2RXH2 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL17571735 0.92 ALDH1A1 (0.62) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL19402527 0.86 KAT2B (0.60) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL17571717 0.86 MAPT (0.58) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL19397751 0.84 KAT2B (0.58) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL15614364 0.81 KMT2A (0.69) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL9329147 0.79 KMT2A (0.67) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL22643562 0.78 KMT2A (0.65) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL27542643 0.78 TDP1 (0.65) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL19397755 0.78 KAT2B (0.46) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL13144171 0.77 KMT2A (0.63) ALDH1A1MAPTHPGDKMT2ATDP1

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 ALDH1A1 2604/4885MAPT 1601/4885HPGD 3199/4885

“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.