SCHEMBL6503323

SCHEMBL6503323

CC1(C)Cn2cc(-c3ccc(Cl)cc3)c(-c3ccccc3)c2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.62
ALOX5 P09917 7/20 0.62
PTGS2 P35354 7/20 0.55
PTGES O14684 2/20 0.40
ALOX5AP P20292 1/20 0.40
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
CACNA1F O60840 1/20 0.36
ALB P02768 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL6494104 0.76 ALOX5 (1.00) PTGS1ALOX5PTGS2PTGESALOX5AP
SCHEMBL6494193 0.76 ALOX5 (0.72) PTGS1ALOX5PTGS2PTGESALOX5AP
SCHEMBL6505812 0.73 ALOX5 (0.72) PTGS1ALOX5PTGS2PTGESALOX5AP
SCHEMBL1839904 0.73 PTGES (0.52) PTGS1ALOX5PTGS2PTGESALOX5AP
SCHEMBL6497004 0.71 ALOX5 (1.00) PTGS1ALOX5PTGS2PTGESALOX5AP
SCHEMBL6498777 0.70 PTGS1 (0.46) PTGS1ALOX5PTGS2PTGESALOX5AP
SCHEMBL6187785 0.70 PTGS1 (0.43) PTGS1ALOX5PTGS2PTGESALOX5AP
SCHEMBL6496569 0.70 ALOX5 (0.66) PTGS1ALOX5PTGS2PTGESALOX5AP
SCHEMBL6626514 0.69 ALOX5 (0.64) PTGS1ALOX5PTGS2PTGESALOX5AP
SCHEMBL6476564 0.65 PTGS2 (0.68) PTGS1ALOX5PTGS2PTGESLMNA

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-6878738-B1 Anti-inflammatory oxo derivatives and hydroxy derivatives of pyrrolizines, and their pharmaceutical use MERCKLE GMBH (DE) 2005-04-12 US disclosed
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1398315-A1 Anti-inflammatory oxo-derivatives and hydroxy derivatives of pyrrolizines, and their pharmaceutical use MERCKLE GMBH (DE) 2004-03-17 EP disclosed
EP-1232158-B1 ANTI-INFLAMMATORY OXO DERIVATIVES AND HYDROXY DERIVATIVES OF PYRROLIZINES, AND THEIR PHARMACEUTICAL USE MERCKLE GMBH (DE) 2004-02-25 EP 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 PTGS1 604/4885ALOX5 128/4885PTGS2 1242/4885

“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.