SCHEMBL19001697

SCHEMBL19001697

Brc1cccc2c1C1(c3ccccc3-2)c2ccccc2-c2c(-c3ccccc3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PDK2 Q15119 9/20 0.40
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL28757767 0.90 ALDH1A1 (0.52) MAPK1ALDH1A1PDK2THRBTDP1
SCHEMBL19001983 0.87 PDK2 (0.46) MAPK1ALDH1A1PDK2THRBTDP1
SCHEMBL19001863 0.87 PDK2 (0.49) MAPK1ALDH1A1PDK2THRBTDP1
SCHEMBL25556439 0.84 THRB (0.41) MAPK1ALDH1A1PDK2THRBTDP1
SCHEMBL15213650 0.84 KDM4E (0.42) MAPK1ALDH1A1PDK2THRBTDP1
SCHEMBL30231892 0.84 KDM4E (0.42) MAPK1ALDH1A1PDK2THRBTDP1
SCHEMBL23222599 0.84 PDK2 (0.46) MAPK1ALDH1A1PDK2MAPTSMN1; SMN2
SCHEMBL18160253 0.83 PDK2 (0.49) MAPK1ALDH1A1PDK2MAPTSMN1; SMN2
SCHEMBL19530895 0.82 MEN1 (0.41) MAPK1ALDH1A1PDK2THRBTDP1
SCHEMBL30257740 0.81 PDK2 (0.40) MAPK1ALDH1A1PDK2THRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11538996-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
EP-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 EP disclosed
EP-3419960-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-07-01 EP disclosed
US-10454041-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2019-10-22 US disclosed
WO-2017144150-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-08-31 WO disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 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 (2 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-10454041-B2 Materials for organic electroluminescent devices RIF1, INTS9, LEF1 MAPK1 306/4885ALDH1A1 9/4885PDK2 1325/4885
US-11538996-B2 Materials for organic electroluminescent devices RIF1, INTS9, LEF1 MAPK1 306/4885ALDH1A1 9/4885PDK2 1325/4885

“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.