SCHEMBL21310620

SCHEMBL21310620

C1=CC(c2ccc(Nc3ccccc3C3=CCCC=C3)cc2)=CCC1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
APP P05067 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
SNCA P37840 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
AKR1C3 P42330 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL12992529 0.89 MAPT (0.40) KDM4EMAPTTP53HPGDALOX15
SCHEMBL24672211 0.81 HSD17B10 (0.53) KDM4EMAPTTP53HPGDALOX15
SCHEMBL18904001 0.81 ALDH1A1 (0.40) MAPTHPGDALOX15SMN1; SMN2HSD17B10
SCHEMBL14420505 0.81 ALDH1A1 (0.40) MAPTHPGDALOX15SMN1; SMN2HSD17B10
SCHEMBL19170362 0.81 ALDH1A1 (0.45) MAPTHPGDALOX15SMN1; SMN2HSD17B10
SCHEMBL19538018 0.80 PTGER4 (0.34) AKR1C3SIRT2
SCHEMBL19529079 0.79
SCHEMBL26012679 0.79 MEN1 (0.32) MEN1KMT2A
SCHEMBL12193227 0.77 MEN1 (0.44) KDM4EMAPTTP53HPGDALOX15
SCHEMBL24783205 0.76 ALOX5 (0.35) KDM4EMAPTTP53HPGDALOX15

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-20190263841-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-08-29 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-20190263841-A1 COMPOUNDS FOR ELECTRONIC DEVICES ETV6, EED, FES KDM4E 2467/4885MAPT 2721/4885TP53 3972/4885

“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.