SCHEMBL22739915

SCHEMBL22739915

c1ccc(N(c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccccc6)c6ccc7sc8ccccc8c7c6)cc5cc4oc32)c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GPR3 P46089 1/20 0.32
▸ PTPN7 P35236 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN12 Q05209 1/20 0.32
▸ PTPN22 Q9Y2R2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ESR1 P03372 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
SCHEMBL22742031 0.94 ALDH1A1 (0.35) ESR2GPR3ALDH1A1MAPTHPGD
SCHEMBL23370908 0.93 CYP1A2 (0.35) CYP1A2GPR3PTPN7DUSP3PTPN12
SCHEMBL22741487 0.93 ESR2 (0.31) ESR2CYP1A2
SCHEMBL22741391 0.92 CYP1A2 (0.34) CYP1A2GPR3PTPN7DUSP3PTPN12
SCHEMBL22739618 0.91 CYP1A2 (0.34) CYP1A2GPR3PTPN7DUSP3PTPN12
SCHEMBL25640342 0.89 ESR2 (0.32) ESR2CYP1A2GPR3PTPN7DUSP3
SCHEMBL24000248 0.88 CYP1A2 (0.35) ESR2CYP1A2GPR3PTPN7DUSP3
SCHEMBL24000698 0.88 CYP1A2 (0.35) ESR2CYP1A2GPR3PTPN7DUSP3
SCHEMBL22741489 0.88 ALDH1A1 (0.32) ESR2ALDH1A1MAPTHPGDRAB9A
SCHEMBL22740294 0.87 GPR3 (0.33) CYP1A2GPR3PTPN7DUSP3PTPN12

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 ESR2 682/4885CYP1A2 1206/4885GPR3 3570/4885

“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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