SCHEMBL22740595

SCHEMBL22740595

c1ccc(-c2c(-c3ccccc3)c3c4cc5ccc(N(c6ccccc6)c6ccccc6)cc5cc4oc3c3oc4cc5cc(N(c6ccccc6)c6ccccc6)ccc5cc4c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.31
▸ CYP1A2 P05177 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ FYN P06241 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
SCHEMBL22741156 0.97 ESR1 (0.32) ESR1ESR2TDP1MEN1THRB
SCHEMBL22740623 0.96 ESR1 (0.33) ESR1ESR2TDP1MEN1THRB
SCHEMBL22740569 0.94 ESR1 (0.33) ESR1ESR2
SCHEMBL22742288 0.94 ESR1 (0.32) ESR1ESR2TDP1MEN1THRB
SCHEMBL22741557 0.94 ESR1 (0.33) ESR1ESR2TDP1MEN1THRB
SCHEMBL22741204 0.93 MAOB (0.33) ESR1ESR2CYP1A2ALDH1A1CYP2C9
SCHEMBL22741145 0.93 ERAP1 (0.33) ESR1ESR2TDP1MEN1THRB
SCHEMBL22743063 0.92 ERAP1 (0.32) TDP1MEN1THRBRECQLBLM
SCHEMBL22740598 0.92 ERAP1 (0.32) TDP1MEN1THRBRECQLBLM
SCHEMBL22743236 0.92 DYRK1A (0.33) TDP1MEN1THRBRECQLBLM

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-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-03 — — 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-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, TMEM109, LEF1 ESR1 280/4885ESR2 682/4885TDP1 3717/4885

“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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