SCHEMBL13059867

SCHEMBL13059867

Oc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccc(O)cc4)c4ccccc4c(-c4ccccc4)c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.61
▸ BCL2L1 Q07817 1/20 0.61
▸ ESR1 P03372 7/20 0.56
▸ ESR2 Q92731 6/20 0.56
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ RPS6KA3 P51812 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ PTPN1 P18031 3/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL4349120 1.00 MMP3 (0.61) MMP3BCL2L1ESR1ESR2PDE4A
SCHEMBL30633884 0.91 MMP3 (0.67) MMP3BCL2L1ESR1ESR2PDE4A
SCHEMBL27979824 0.91 MMP3 (0.67) MMP3BCL2L1ESR1ESR2PDE4A
SCHEMBL13825919 0.88 MMP3 (0.71) MMP3BCL2L1ESR1ESR2PDE4A
SCHEMBL20323049 0.86 ESR1 (0.61) MMP3BCL2L1ESR1ESR2PDE4A
SCHEMBL282856 0.85 ALDH1A1 (0.50) MMP3BCL2L1ESR1ESR2CA1
SCHEMBL29362903 0.85 ALDH1A1 (0.50) MMP3BCL2L1ESR1ESR2CA1
SCHEMBL5705575 0.85 ESR1 (0.57) MMP3BCL2L1ESR1ESR2PDE4A
SCHEMBL30692092 0.85 ESR1 (0.57) MMP3BCL2L1ESR1ESR2PDE4A
SCHEMBL20936 0.85 MAPT (0.48) ESR1ESR2CA1CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130075670-A1 AMINOBENZENE COMPOSITIONS AND RELATED DEVICES AND METHODS PLEXTRONICS, INC. (US) 2013-03-28 — — US disclosed
US-20130075670-A1 AMINOBENZENE COMPOSITIONS AND RELATED DEVICES AND METHODS PLEXTRONICS, INC. (US) 2013-03-28 — — US disclosed
US-8283002-B2 Aminobenzene compositions and related devices and methods PLEXTRONICS, INC. (US) 2012-10-09 — — US disclosed
US-8283002-B2 Aminobenzene compositions and related devices and methods PLEXTRONICS, INC. (US) 2012-10-09 — — US disclosed
US-20100292399-A1 AMINOBENZENE COMPOSITIONS AND RELATED DEVICES AND METHODS PLEXTRONICS, INC. 2010-11-18 — — US disclosed
US-20100292399-A1 AMINOBENZENE COMPOSITIONS AND RELATED DEVICES AND METHODS PLEXTRONICS, INC. 2010-11-18 — — US disclosed
WO-2010059646-A2 AMINOBENZENE COMPOSITIONS AND RELATED DEVICES AND METHODS PLEXTRONICS, INC. (US) 2010-05-27 — — WO 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-20130075670-A1 AMINOBENZENE COMPOSITIONS AND RELATED DEVICES AND METHODS HLA-B, AAAS, SLCO2B1 MMP3 4835/4885BCL2L1 3943/4885ESR1 364/4885

“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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