SCHEMBL22109147

SCHEMBL22109147

O=c1c2ccccc2c2c1ccc1c3ccccc3c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MAOA P21397 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.41
PGAM1 P18669 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
CYP1A2 P05177 2/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.36

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
SCHEMBL20669040 0.98 S100A4 (0.41) S100A4ALDH1A1MAOAHPGDSMN1; SMN2
SCHEMBL20668933 0.95 S100A4 (0.42) S100A4ALDH1A1MAOAHPGDSMN1; SMN2
SCHEMBL20668931 0.92 S100A4 (0.43) S100A4ALDH1A1MAOAHPGDSMN1; SMN2
SCHEMBL20668932 0.92 S100A4 (0.43) S100A4ALDH1A1MAOAHPGDSMN1; SMN2
SCHEMBL20668934 0.91 ALDH1A1 (0.48) S100A4ALDH1A1MAOAHPGDSMN1; SMN2
SCHEMBL20668966 0.90 S100A4 (0.42) S100A4ALDH1A1MAOAHPGDSMN1; SMN2
SCHEMBL20668936 0.90 S100A4 (0.42) S100A4ALDH1A1MAOAHPGDSMN1; SMN2
SCHEMBL20669039 0.90 S100A4 (0.42) S100A4ALDH1A1MAOAHPGDSMN1; SMN2
SCHEMBL20669047 0.90 S100A4 (0.45) S100A4ALDH1A1MAOAHPGDSMN1; SMN2
SCHEMBL20668935 0.87 S100A4 (0.46) S100A4ALDH1A1MAOAHPGDSMN1; SMN2

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
US-11767299-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-09-26 US disclosed
US-11767299-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-09-26 US disclosed
US-20200190039-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-06-18 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-20200190039-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM S100A4 236/4885ALDH1A1 33/4885MAOA 582/4885
US-11767299-B2 Materials for organic electroluminescent devices L1CAM, EFNA1, EPCAM S100A4 236/4885ALDH1A1 33/4885MAOA 582/4885

“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.