SCHEMBL4881615

SCHEMBL4881615

COC(=O)C(C)(C)c1cc(Br)c(O)c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.47
TSHR P16473 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP2C9 P11712 1/20 0.37
PRKDC P78527 1/20 0.36
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL4877589 0.84 MAPT (0.39) ERN1TSHRHSD17B10ALDH1A1HPGD
SCHEMBL4879192 0.83 ERN1 (0.51) ERN1TSHRHIF1AHSD17B10ALDH1A1
SCHEMBL6459781 0.82 ERN1 (0.44) ERN1TSHRHIF1AHSD17B10ALDH1A1
SCHEMBL6460766 0.81 ERN1 (0.43) ERN1TSHRHIF1AHSD17B10ALDH1A1
SCHEMBL875039 0.79 ERN1 (0.58) ERN1TSHRHIF1AHSD17B10ALDH1A1
SCHEMBL8273577 0.79 ERN1 (0.45) ERN1TSHRHIF1AHSD17B10ALDH1A1
SCHEMBL28272294 0.78 ERN1 (0.56) ERN1TSHRHIF1AHSD17B10ALDH1A1
SCHEMBL12678867 0.76 CNR2 (0.45) TSHRHIF1AHSD17B10ALDH1A1CYP3A4
SCHEMBL6688756 0.76 CNR1 (0.54) ERN1HSD17B10ALDH1A1HPGDALOX15
SCHEMBL7797570 0.73 CNR2 (0.57) ERN1HSD17B10ALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242644-A1 Factor Viia Inhibitor PHARMACYCLICS, INC. (US) 2008-10-02 US disclosed
US-20080242644-A1 Factor Viia Inhibitor PHARMACYCLICS, INC. (US) 2008-10-02 US disclosed
EP-1751114-A2 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2007-02-14 EP disclosed
WO-2005121102-A2 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2005-12-22 WO disclosed
WO-2004062661-A1 2-‘5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL!- CARBOXYLIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 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-20080242644-A1 Factor Viia Inhibitor F7, F9, F5 ERN1 1540/4885TSHR 2415/4885HIF1A 1354/4885

“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.