SCHEMBL19977258

SCHEMBL19977258

CC(C)c1ccc2c(c1)OC(CC(C)c1ccc3c(c1)NCCO3)CN2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
USP9X Q93008 3/20 0.33
BRD4 O60885 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL24701389 0.82 TDP1 (0.44) ALDH1A1
SCHEMBL70215 0.79 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL19984488 0.78 FABP6 (0.40) HSD17B10MAPTHPGD
SCHEMBL69296 0.76 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL22595051 0.75 EGFR (0.33) CASR
SCHEMBL18521857 0.74 GAA (0.55) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL23437901 0.71 GAA (0.44) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL14924059 0.71 MAPT (0.50) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL31208205 0.70 ALDH1A1 (0.57) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL19751549 0.68 BRD4 (0.36) ALDH1A1GAAHSD17B10MAPTBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-20180079759-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2018-03-22 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 (4 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR ALDH1A1 2724/4885GAA 2687/4885HSD17B10 701/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR ALDH1A1 2724/4885GAA 2687/4885HSD17B10 701/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR ALDH1A1 2724/4885GAA 2687/4885HSD17B10 701/4885
US-20180079759-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ALDH1A1 2724/4885GAA 2687/4885HSD17B10 701/4885

“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.