SCHEMBL6493739

SCHEMBL6493739

COc1ccc(OC[C@H](O)CO)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
MAPK1 P28482 2/20 0.69
CYP2C9 P11712 1/20 0.65
LMNA P02545 2/20 0.58
AGTR1 P30556 1/20 0.58
CYP1A2 P05177 1/20 0.58
POLB P06746 3/20 0.57
AR P10275 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ADRB3 P13945 1/20 0.50

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
SCHEMBL13204668 1.00 TSHR (0.69) TSHRMAPK1CYP2C9LMNAAGTR1
SCHEMBL1496759 1.00 TSHR (0.69) TSHRMAPK1CYP2C9LMNAAGTR1
SCHEMBL14173945 0.90 TSHR (0.58) TSHRMAPK1CYP2C9LMNAAGTR1
SCHEMBL6228324 0.89 AR (0.61) TSHRMAPK1CYP2C9LMNAAGTR1
SCHEMBL14173741 0.84 TSHR (0.56) TSHRMAPK1CYP2C9LMNAAGTR1
SCHEMBL1496665 0.84 POLB (0.57) TSHRMAPK1CYP2C9LMNAPOLB
SCHEMBL14934283 0.84 TSHR (0.62) TSHRMAPK1CYP2C9LMNAAGTR1
SCHEMBL16174419 0.84 TSHR (0.62) TSHRMAPK1CYP2C9LMNAAGTR1
SCHEMBL1496690 0.84 TSHR (0.62) TSHRMAPK1CYP2C9LMNAAGTR1
SCHEMBL8811629 0.83 AR (0.56) TSHRMAPK1LMNAAGTR1CYP1A2

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
WO-2005056549-A1 WATER-SOLUBLE ETOPOSIDE ANALOGS AND METHODS OF USE THEREOF UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-06-23 WO claimed
WO-2022253331-A1 INTERMEDIATE FOR PREPARING PHOSPHATIDYLETHANOLAMINE AND PREPARATION METHOD OF INTERMEDIATE 上海弼领生物技术有限公司 2022-12-08 WO disclosed
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents AGOURON PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-6573246-B1 Anticancer agents THE LIPOSOME COMPANY, INC. 2003-06-03 US disclosed
US-6153736-A ANTICANCER AGENTS THE LIPOSOME COMPANY, INC. (US) 2000-11-28 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-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, IRF3, BRD4 TSHR 3008/4885MAPK1 3670/4885CYP2C9 1819/4885

“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.