SCHEMBL1919902

SCHEMBL1919902

Cc1c(C(C)C)c(=O)oc(=O)n1Cc1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.39
CHRM5 P08912 1/20 0.39
AKR1B1 P15121 2/20 0.39
TRAP1 Q12931 3/20 0.38
HSP90B1 P14625 2/20 0.38
HSP90AA1 P07900 1/20 0.38
AKR1A1 P14550 1/20 0.36
LIPE Q05469 1/20 0.35
TBXA2R P21731 2/20 0.35
GRM2 Q14416 1/20 0.34
BMP1 P13497 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL1919903 0.80 MAPT (0.43) MAPTTP53POLBCHRM5AKR1B1
SCHEMBL303191 0.69 EGLN1 (0.51) MAPTAKR1B1AKR1A1
SCHEMBL5464015 0.66 BRAF (0.46) MAPTPOLBAKR1B1AKR1A1
SCHEMBL25868654 0.65 AKR1B1 (0.44) MAPTTP53POLBAKR1B1TRAP1
SCHEMBL5239737 0.64 PYCR1 (0.45) MAPTCHRM5AKR1B1TRAP1HSP90B1
SCHEMBL1310479 0.62 PYCR1 (0.50) MAPTPOLBCHRM5AKR1B1TRAP1
SCHEMBL13172655 0.62 P2RX7 (0.45) MAPTCHRM5AKR1B1TRAP1HSP90B1
SCHEMBL15053119 0.62 P2RX7 (0.40) CHRM5AKR1B1
SCHEMBL8252272 0.62 PYCR1 (0.46) AKR1B1BMP1
SCHEMBL31136303 0.61 CCR5 (0.48) MAPTAKR1B1AKR1A1

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-20110144167-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2011-06-16 US disclosed
EP-2326179-A1 PROLYL HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2011-06-01 EP disclosed
WO-2010025087-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-03-04 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-20110144167-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 MAPT 4716/4885TP53 3250/4885POLB 706/4885

“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.