SCHEMBL17070675

SCHEMBL17070675

CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C(C)(C)c3c-4ccc4c3C(C)(C)c3ccc5ccccc5c3-4)cc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNMT1 P26358 1/20 0.32
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
STK10 O94804 1/20 0.31
SLK Q9H2G2 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KIF11 P52732 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
CMA1 P23946 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
SCHEMBL23658887 0.93 PDK2 (0.39) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL15505785 0.90 PDK2 (0.38) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL17070709 0.89 PDK2 (0.37) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL24742922 0.88 PDK2 (0.38) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL24156142 0.86 PDK2 (0.36) PDK2ALDH1A1MAPTDNMT1CYP3A4
SCHEMBL25657065 0.84 ALDH1A1 (0.45) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16755467 0.83 PDK2 (0.42) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL17070694 0.83 ALDH1A1 (0.42) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL15505803 0.83 ALDH1A1 (0.42) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL25686275 0.82 FADS1 (0.34) PDK2ALDH1A1MAPTRAB9ACYP3A4

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-20150255720-A1 Compounds for Electronic Devices MERCK PATENT GMBH (DE) 2015-09-10 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-20150255720-A1 Compounds for Electronic Devices DDT, EED, VDAC2 PDK2 671/4885ALDH1A1 377/4885MAPT 1786/4885

“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.