SCHEMBL29709293

SCHEMBL29709293

Brc1ccc2c(c1)-c1cccc3cccc-2c13

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 5/20 0.58
TSHR P16473 3/20 0.58
HSD17B10 Q99714 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ATM Q13315 1/20 0.58
CASP1 P29466 3/20 0.58
HPGD P15428 3/20 0.58
CASP7 P55210 2/20 0.58
HIF1A Q16665 2/20 0.58
TP53 P04637 1/20 0.58
PTPRC P08575 1/20 0.50
CYP3A4 P08684 1/20 0.47
PABPC1 P11940 1/20 0.47
DNMT1 P26358 1/20 0.47
S100A4 P26447 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BCL2 P10415 1/20 0.44
CYP2A6 P11509 1/20 0.43
CES2 O00748 1/20 0.43

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
SCHEMBL5011063 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1TSHRHSD17B10L3MBTL1
SCHEMBL17283498 0.87 CASP1 (0.63) ALDH1A1MAPK1TSHRHSD17B10L3MBTL1
SCHEMBL17322307 0.87 BCL2 (0.64) ALDH1A1MAPK1TSHRHSD17B10L3MBTL1
SCHEMBL29459426 0.87 CASP1 (0.63) ALDH1A1MAPK1TSHRHSD17B10L3MBTL1
Fluoranthene SCHEMBL27657669 0.86 CYP1A2 (0.51) ALDH1A1MAPK1TSHRHSD17B10L3MBTL1
SCHEMBL27657670 0.86 CYP1A2 (0.51) ALDH1A1MAPK1TSHRHSD17B10L3MBTL1
SCHEMBL24079119 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1TSHRHSD17B10L3MBTL1
SCHEMBL21368368 0.81 MAPK1 (0.50) ALDH1A1MAPK1TSHRHSD17B10L3MBTL1
SCHEMBL7866191 0.81 PTPRC (0.70) ALDH1A1MAPK1L3MBTL1ATMPTPRC
SCHEMBL26112719 0.81 PTPRC (0.70) ALDH1A1MAPK1L3MBTL1ATMPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11355714-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-06-07 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 (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-11355714-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2A1, SLCO2B1 ALDH1A1 1315/4885MAPK1 1572/4885TSHR 4479/4885

“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.