SCHEMBL4877589

SCHEMBL4877589

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
PRKDC P78527 1/20 0.38
ERN1 O75460 4/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TPMT P51580 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
APOBEC3A P31941 1/20 0.34
HTT P42858 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAPK1 P28482 1/20 0.34
CA2 P00918 2/20 0.33

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
SCHEMBL4874926 0.87 HSD17B10 (0.40) MAPTHPGDPRKDCERN1HSD17B10
SCHEMBL4881615 0.84 ERN1 (0.47) HPGDPRKDCERN1HSD17B10CNR1
SCHEMBL23802016 0.82 PRKDC (0.44) MAPTHPGDPRKDCERN1HSD17B10
SCHEMBL12678867 0.75 CNR2 (0.45) MAPTHPGDHSD17B10CNR1CNR2
SCHEMBL6688756 0.72 CNR1 (0.54) MAPTHPGDERN1HSD17B10CNR1
SCHEMBL10265990 0.72 PRKDC (0.47) MAPTHPGDPRKDCERN1HSD17B10
SCHEMBL7529797 0.72 PRKDC (0.47) MAPTHPGDPRKDCERN1HSD17B10
SCHEMBL4407567 0.71 NOTUM (0.46) HSD17B10CNR1CNR2MEN1KMT2A
SCHEMBL1119262 0.71 PRKDC (0.50) MAPTHPGDPRKDCERN1HSD17B10
SCHEMBL1071145 0.71 ERN1 (0.53) MAPTHPGDPRKDCERN1HSD17B10

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 4 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
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 MAPT 4562/4885HPGD 2758/4885PRKDC 1538/4885

“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.