SCHEMBL4733887

SCHEMBL4733887

CCOC(=O)C1CC2CC[C@@H]1O2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.50
PTPN1 P18031 2/20 0.50
PPP1CC P36873 2/20 0.50
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 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
SCHEMBL8116502 1.00 PPM1B (0.50) PPM1BPTPN1PPP1CCSLC6A4SLC6A3
SCHEMBL8071843 1.00 PPM1B (0.50) PPM1BPTPN1PPP1CCSLC6A4SLC6A3
SCHEMBL4733885 1.00 PPM1B (0.50) PPM1BPTPN1PPP1CCSLC6A4SLC6A3
SCHEMBL4735250 0.84 PPM1B (0.43) PPM1BPTPN1PPP1CCSLC6A4SLC6A3
SCHEMBL4735247 0.84 PPM1B (0.43) PPM1BPTPN1PPP1CCSLC6A4SLC6A3
SCHEMBL14424152 0.82 PPM1B (0.35) PPM1BPTPN1PPP1CCSLC6A4SLC6A3
SCHEMBL14424095 0.81 EPHX2 (0.39) PPM1BPTPN1PPP1CC
SCHEMBL14424084 0.81 PPM1B (0.38) PPM1BPTPN1PPP1CCSLC6A4SLC6A3
SCHEMBL14424106 0.81 MEN1 (0.40) PPM1BPTPN1PPP1CCSLC6A3TSHR
SCHEMBL5400994 0.80 SLC6A3 (0.50) PPM1BPTPN1PPP1CCSLC6A4SLC6A3

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
WO-2008077809-A1 PROCESS FOR THE MANUFACTURE OF 7-OXA-BICYCLO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO claimed
US-20080154043-A1 PROCESS FOR THE MANUFACTURE OF 7-OXA-BICYCLO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US claimed
WO-2008077809-A1 PROCESS FOR THE MANUFACTURE OF 7-OXA-BICYCLO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO disclosed
US-20080154043-A1 PROCESS FOR THE MANUFACTURE OF 7-OXA-BICYCLO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US 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-20080154043-A1 PROCESS FOR THE MANUFACTURE OF 7-OXA-BICYCLO DERIVATIVES CYP3A7, UGT2B7, CYP1B1 PPM1B 3317/4885PTPN1 4567/4885PPP1CC 2180/4885

“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.