SCHEMBL13508101

SCHEMBL13508101

c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4c6oc7cc(-c8ccc(-c9c%10ccccc%10c(-c%10ccccc%10)c%10ccccc9%10)cc8)ccc7c6c6ccccc6c54)cc3)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ PLA2G2A P14555 3/20 0.37
▸ PLA2G4A P47712 3/20 0.37
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ GAA P10253 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL13507984 0.95 ERAP1 (0.39) ERAP1PRKDCPLA2G2APLA2G4AESR1
SCHEMBL17943893 0.94 ERAP1 (0.37) ERAP1PRKDCPLA2G2APLA2G4APTPN2
SCHEMBL13508030 0.93 PRKDC (0.41) ERAP1PRKDCPLA2G2APLA2G4APTPN2
SCHEMBL16067723 0.91 ERAP1 (0.37) ERAP1PRKDCPLA2G2APLA2G4AESR1
SCHEMBL16068064 0.90 PLA2G2A (0.37) ERAP1PRKDCPLA2G2APLA2G4APTPN2
SCHEMBL17577237 0.90 PLA2G2A (0.36) ERAP1PRKDCPLA2G2APLA2G4APTPN2
SCHEMBL17577243 0.90 PLA2G2A (0.36) ERAP1PRKDCPLA2G2APLA2G4APTPN2
SCHEMBL19108691 0.90 PLA2G2A (0.39) ERAP1PRKDCPLA2G2APLA2G4APTPN1
SCHEMBL16067711 0.89 ERAP1 (0.38) ERAP1PRKDCPLA2G2APLA2G4AESR1
SCHEMBL13507115 0.89 PLA2G2A (0.41) ERAP1PRKDCPLA2G2APLA2G4APTPN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — US disclosed
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — 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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 ERAP1 3959/4885PRKDC 4484/4885PLA2G2A 3711/4885

“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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