SCHEMBL21660663

SCHEMBL21660663

Cc1c2c3ccccc3nc-2n(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 3/20 0.39
DHODH Q02127 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
PDE6D O43924 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 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
SCHEMBL21660624 0.86 MAPK1 (0.51) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL15446467 0.80 ESR1 (0.56) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL14803183 0.78 ESR1 (0.54) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL15446431 0.77 ESR1 (0.50) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL23169740 0.77 ESR1 (0.60) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL21660639 0.77 HSD17B10 (0.43) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL26344964 0.77 ESR2 (0.52) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL23169644 0.76 ESR1 (0.58) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL15446587 0.76 ESR1 (0.58) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL19271635 0.76 L3MBTL1 (0.40) KDM4EALDH1A1KMT2AMEN1MAPT

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
EP-3583104-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-09 EP disclosed
US-10923665-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-02-16 US disclosed
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-06 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 (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-10923665-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM ESR1 78/4885ESR2 244/4885KDM4E 1917/4885
US-20200044162-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM ESR1 78/4885ESR2 244/4885KDM4E 1917/4885

“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.