SCHEMBL18237995

SCHEMBL18237995

CC(C)c1cncc2cn[nH]c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
PARP1 P09874 1/20 0.37
PRKCI P41743 1/20 0.37
PDE4B Q07343 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPA1 O75762 2/20 0.34
SLC2A1 P11166 1/20 0.32
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
MAP4K4 O95819 1/20 0.30
ABL1 P00519 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
MET P08581 1/20 0.30
FGFR1 P11362 1/20 0.30
PDGFRA P16234 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
SCHEMBL27010728 0.77
SCHEMBL19153314 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL18237736 0.74 TRPA1 (0.37) TRPA1PTK2
SCHEMBL14911997 0.73 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL19131100 0.71 ALDH1A1 (0.38) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL18238019 0.71 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL18237996 0.67 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL18237982 0.67 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL19153152 0.64 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL27010760 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ALDH1A1 2151/4885HSD17B10 3435/4885KDM4E 3060/4885

“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.