SCHEMBL22011376

SCHEMBL22011376

c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4sc5ccccc5c4c4c(ccc5sc6ccccc6c54)c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.33
CASP1 P29466 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL24171801 0.92 HSD17B10 (0.33) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL19784826 0.89 HSD17B10 (0.36) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL16867159 0.89 HSD17B10 (0.37) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL19985985 0.87 HSD17B10 (0.36) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL24171655 0.87 ALDH1A1 (0.39) HSD17B10CASP1KDM4EHPGDALDH1A1
SCHEMBL19985997 0.85 HSD17B10 (0.34) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL22011689 0.85 ALDH1A1 (0.38) HSD17B10CASP1KDM4EHPGDALDH1A1
SCHEMBL17433136 0.85 HSD17B10 (0.36) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL21281953 0.85 HSD17B10 (0.37) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL16582335 0.84 HSD17B10 (0.36) HSD17B10CASP1HRH4KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 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-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 HSD17B10 4135/4885CASP1 2143/4885HRH4 2790/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 HSD17B10 4135/4885CASP1 2143/4885HRH4 2790/4885

“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.