SCHEMBL22328883

SCHEMBL22328883

c1ccc(-c2c3cc4ccccc4c4c5ccccc5c(c5c6ccc7c8ccc9c%10c(ccc(c%11ccc(c25)c6c%117)c%108)-c2c-9c(-c5ccc6sc7ccccc7c6c5)c5ccccc5c2-c2ccc5sc6ccccc6c5c2)c34)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.32
NQO1 P15559 1/20 0.30
NQO2 P16083 1/20 0.30
GPR3 P46089 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PIM3 Q86V86 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
SCHEMBL22328879 0.88 PIM1 (0.30)
SCHEMBL21704886 0.81 GPR3 (0.31) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL22328865 0.76 GPR84 (0.38) ALDH1A1MAPTHPGD
SCHEMBL13706277 0.76 GPR3 (0.36) PTPN1GPR3ALDH1A1MAPTHPGD
SCHEMBL21454554 0.75 GPR3 (0.47) PTPN1GPR3ALDH1A1MAPTHPGD
SCHEMBL12683580 0.75 GPR3 (0.38) PTPN1NQO1NQO2GPR3ALDH1A1
SCHEMBL25128993 0.75 ESR1 (0.39) PTPN1NQO2ALDH1A1MAPTHPGD
SCHEMBL22328891 0.75 MAPT (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25007347 0.74 F9 (0.34) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL23463805 0.74 F9 (0.34) GPR3ALDH1A1MAPTHPGDRAB9A

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-20200255358-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2020-08-13 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-20200255358-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CCNL2, MCM4, CCNT1 PTPN1 4250/4885NQO1 1491/4885NQO2 3852/4885

“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.