SCHEMBL31037686

SCHEMBL31037686

Brc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ GPR3 P46089 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ SLC6A2 P23975 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL23855822 1.00 KDM4E (0.42) KDM4EL3MBTL1ATMGPR3DUSP3
SCHEMBL12258327 0.86 KDM4E (0.46) KDM4EL3MBTL1ATMGPR3DUSP3
SCHEMBL23177382 0.78 KDM4E (0.43) KDM4EL3MBTL1ATMGPR3DUSP3
SCHEMBL21562771 0.78 KDM4E (0.44) KDM4EL3MBTL1ATMGPR3DUSP3
SCHEMBL29412290 0.77 ALDH1A1 (0.43) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL21462450 0.77 ALDH1A1 (0.43) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL20252390 0.75 KDM4E (0.48) KDM4EL3MBTL1ATMGPR3DUSP3
SCHEMBL21562747 0.75 KDM4E (0.41) KDM4EL3MBTL1ATMALDH1A1MAPT
SCHEMBL30777263 0.75 ALDH1A1 (0.47) KDM4EL3MBTL1ATMDUSP3CYP1A2
SCHEMBL23177403 0.74 ACP1 (0.45) KDM4EL3MBTL1ATMPOLBMAPT

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-12029116-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2024-07-02 — — 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-12029116-B2 Composition of matter for use in organic light-emitting diodes OPRD1, DRD1, DRD3 KDM4E 3197/4885L3MBTL1 442/4885ATM 3673/4885

“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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