SCHEMBL26345698

SCHEMBL26345698

c1ccc(-c2nc3ccccc3n2-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)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
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
CHEK2 O96017 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSP90AA1 P07900 1/20 0.37
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
CACNG2 Q9Y698 1/20 0.36
GAA P10253 2/20 0.36
PDE6D O43924 1/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
POLB P06746 1/20 0.35
PTGER4 P35408 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
SCHEMBL26345694 0.96 ESR1 (0.39) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL21392439 0.90 ESR1 (0.52) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL26345555 0.89 ESR1 (0.45) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL18999482 0.89 ESR1 (0.47) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL26345658 0.87 HTT (0.42) ALDH1A1KDM4EHPGDCHEK2KMT2A
SCHEMBL26345545 0.87 ESR1 (0.39) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL26371139 0.87 PLA2G2A (0.33) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL26345524 0.87 ESR1 (0.45) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL19502388 0.86 ESR1 (0.35) ESR1ESR2ALDH1A1KDM4EHPGD
SCHEMBL26370151 0.86 CHEK2 (0.34) ESR1ESR2ALDH1A1KDM4EHPGD

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-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-28 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-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS PIEZO1, OR10J3, TMEM109 ESR1 124/4885ESR2 596/4885ALDH1A1 115/4885

“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.