SCHEMBL25112974

SCHEMBL25112974

c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4c4cccc6ccc7cccc5c7c64)c4ccccc34)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.51
▸ ESR2 Q92731 2/20 0.51
▸ GRIA1 P42261 1/20 0.45
▸ CACNG8 Q8WXS5 1/20 0.45
▸ CACNG2 Q9Y698 1/20 0.45
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL25112972 0.97 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL25112776 0.91 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976944 0.90 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976957 0.89 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12912435 0.89 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976946 0.89 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976949 0.89 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976950 0.89 ESR2 (0.60) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12912523 0.87 ESR2 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14363300 0.87 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2

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 302/4885GRIA1 624/4885

“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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