SCHEMBL4874926

SCHEMBL4874926

COc1c(Br)cc(C(C)(C)C(=O)O)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
PRKDC P78527 1/20 0.39
TPMT P51580 1/20 0.39
ERN1 O75460 5/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
APOBEC3A P31941 1/20 0.35
HTT P42858 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAPK1 P28482 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 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
SCHEMBL4877589 0.87 MAPT (0.39) HSD17B10PRKDCTPMTERN1MAPT
SCHEMBL23802016 0.83 PRKDC (0.44) HSD17B10PRKDCTPMTERN1MAPT
SCHEMBL4879192 0.80 ERN1 (0.51) HSD17B10ERN1HPGDALDH1A1CYP1A2
SCHEMBL1302354 0.75 TPMT (0.63) HSD17B10PRKDCTPMTERN1MAPT
SCHEMBL5861406 0.73 AKR1C3 (0.43) HSD17B10MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL10265990 0.73 PRKDC (0.47) HSD17B10PRKDCTPMTERN1MAPT
SCHEMBL7529797 0.73 PRKDC (0.47) HSD17B10PRKDCTPMTERN1MAPT
SCHEMBL1119262 0.72 PRKDC (0.50) HSD17B10PRKDCERN1MAPTHPGD
SCHEMBL1071145 0.72 ERN1 (0.53) HSD17B10PRKDCERN1MAPTHPGD
SCHEMBL1302320 0.72 THRB (0.56) HSD17B10PRKDCTSHR

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 3 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

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 HSD17B10 3295/4885PRKDC 1538/4885TPMT 4257/4885

“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.