SCHEMBL25112774

SCHEMBL25112774

c1ccc(-c2nc3ccccc3n2-c2ncc(-c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TP53 P04637 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PDE6D O43924 1/20 0.37
▸ ALDH2 P05091 1/20 0.37
▸ ALDH3A1 P30838 1/20 0.37
▸ MET P08581 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35

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
SCHEMBL25112763 0.88 HTT (0.41) KDM4EALDH1A1TP53MAPTMET
SCHEMBL25112835 0.87 ALDH1A1 (0.41) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL25112821 0.83 ESR1 (0.40) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL25112940 0.83 ESR1 (0.53) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL25112870 0.81 ESR1 (0.43) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL25112831 0.80 ESR1 (0.39) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL25112776 0.79 ESR1 (0.51) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL25112914 0.79 ESR1 (0.38) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL25112840 0.79 ESR1 (0.44) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL25112812 0.79 MEN1 (0.45) KDM4EALDH1A1HPGDTP53MEN1

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-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-03-16 — — 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-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, PIEZO1, LEF1 ESR1 42/4885ESR2 302/4885KDM4E 1371/4885

“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.

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