SCHEMBL5017301

SCHEMBL5017301

O=c1c2ccccc2c2c3ccccc3c3c4ccccc4c(=O)c3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.48
ALDH1A1 P00352 4/20 0.42
MAOA P21397 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
GLA P06280 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 1/20 0.42
PGAM1 P18669 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL29713419 0.94 S100A4 (0.48) S100A4ALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL29425353 0.94 S100A4 (0.48) S100A4ALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL470784 0.94 S100A4 (0.48) S100A4ALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL30019620 0.94 S100A4 (0.48) S100A4ALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL11049489 0.94 S100A4 (0.48) S100A4ALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL25234735 0.94 S100A4 (0.48) S100A4ALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL7905111 0.94 S100A4 (0.52) S100A4ALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL20669039 0.89 S100A4 (0.42) S100A4ALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL20669045 0.88 S100A4 (0.48) S100A4ALDH1A1MAOASMN1; SMN2HPGD
SCHEMBL20668931 0.86 S100A4 (0.43) S100A4ALDH1A1MAOASMN1; SMN2HPGD

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
EP-3211058-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
EP-3211058-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2017-08-30 EP disclosed
US-8748010-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-06-10 US disclosed
US-20080193797-A1 Novel Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
EP-1917323-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-05-07 EP disclosed
WO-2007022845-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-03-01 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-20080193797-A1 Novel Materials for Organic Electroluminescent Devices SLC40A1, SLC67A1, SLC29A1 S100A4 138/4885ALDH1A1 356/4885MAOA 994/4885

“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.