SCHEMBL16648248

SCHEMBL16648248

c1ccc(-c2nc3ccccc3n2-c2cccc3c2sc2ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 1/20 0.44
PTGS2 P35354 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
PDE6D O43924 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
GSR P00390 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 3/20 0.37
GRIA1 P42261 1/20 0.37

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
SCHEMBL12567850 0.88 ALOX5 (0.43) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL22736407 0.84 ESR1 (0.44) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL12349150 0.83 GSR (0.43) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL16648246 0.83 ESR1 (0.42) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL18031683 0.82 ESR1 (0.44) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL16648187 0.82 ESR1 (0.44) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL12567977 0.82 ALOX5 (0.44) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL23169659 0.81 ESR1 (0.46) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL12349385 0.81 ESR2 (0.52) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL23169660 0.81 ESR1 (0.44) ESR1ESR2KDM4EALDH1A1HPGD

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
EP-3055303-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-12-02 EP disclosed
US-20160248023-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
US-20160248023-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
WO-2015051869-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-16 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-20160248023-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, LEF1, KCNC1 ESR1 18/4885ESR2 99/4885KDM4E 2381/4885

“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.