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SCHEMBL10073048

SCHEMBL10073048

COc1ccc(C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCC2)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.77
▸ G6PD P11413 1/20 0.77
▸ CASP1 P29466 2/20 0.75
▸ TSHR P16473 1/20 0.75
▸ HTT P42858 3/20 0.72
▸ TDP1 Q9NUW8 2/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ ALDH1A1 P00352 3/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ GAA P10253 1/20 0.60
▸ POLB P06746 1/20 0.59
▸ MAPT P10636 1/20 0.57
▸ HPGD P15428 1/20 0.57

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
SCHEMBL10073044 0.91 CASP1 (0.69) LMNAG6PDCASP1TSHRHTT
SCHEMBL10073032 0.90 ALDH1A1 (0.72) LMNAG6PDCASP1TSHRHTT
SCHEMBL10073037 0.90 MEN1 (0.84) LMNAG6PDCASP1TSHRHTT
SCHEMBL9427696 0.88 ALDH1A1 (0.69) LMNAG6PDCASP1TSHRHTT
SCHEMBL14427583 0.87 LMNA (1.00) LMNAG6PDCASP1TSHRHTT
SCHEMBL558502 0.87 ALDH1A1 (0.70) LMNAG6PDCASP1TSHRHTT
SCHEMBL14551233 0.84 LMNA (0.98) LMNAG6PDCASP1TSHRHTT
SCHEMBL2814801 0.83 KMT2A (0.62) LMNAG6PDCASP1TSHRHTT
SCHEMBL2817053 0.83 TSHR (0.71) LMNAG6PDCASP1TSHRHTT
SCHEMBL10073049 0.82 ALDH1A1 (0.67) LMNAG6PDCASP1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 — — US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 — — US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 — — US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 — — US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — 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 (3 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-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 LMNA 1873/4885G6PD 1443/4885CASP1 4724/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 LMNA 1873/4885G6PD 1443/4885CASP1 4724/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 LMNA 1873/4885G6PD 1443/4885CASP1 4724/4885

“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.