SCHEMBL4940540

SCHEMBL4940540

CCCCC(C)(C)C(=O)CP(=O)(O)OCC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
FDPS P14324 6/20 0.38
LPAR3 Q9UBY5 4/20 0.34
GGPS1 O95749 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
SMPD1 P17405 2/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL11636720 0.85 FDPS (0.39) FDPSGGPS1SMPD1
SCHEMBL11173438 0.84 LPAR3 (0.38) PPARDFDPSLPAR3LPAR1LPAR2
SCHEMBL10924308 0.83 PPARD (0.36) PPARDFDPSLPAR3GGPS1LPAR1
SCHEMBL3741739 0.80 FDPS (0.44) FDPSLPAR3GGPS1LPAR1LPAR2
SCHEMBL1549416 0.78 PPARD (0.47) PPARD
SCHEMBL11761619 0.76 LPAR3 (0.44) FDPSLPAR3GGPS1LPAR1LPAR2
SCHEMBL961898 0.76 FDPS (0.36) FDPSGGPS1SMPD1CYP4F2CYP4A11
SCHEMBL10682984 0.75 FDPS (0.47) FDPSLPAR3GGPS1LPAR1LPAR2
SCHEMBL16841368 0.75 FDPS (0.35) FDPSGGPS1SMPD1CYP4F2CYP4A11
SCHEMBL9732184 0.74 PPARD (0.37) PPARD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US disclosed
EP-1585729-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-10-19 EP disclosed
WO-2004063158-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-07-29 WO disclosed
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC 2004-07-22 US disclosed
US-4983629-A 11-haloprostane derivatives, processes for their preparation and their use as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed
US-4806668-A Process for the production of 9beta-chloroprostaglandins SCHERING AKTIENGESELLSCHAFT (DE) 1989-02-21 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 (2 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-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents C3AR1, C1R, HRH4 PPARD 2701/4885FDPS 2628/4885LPAR3 396/4885
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists PTGER1, PTGER2, PTGER4 PPARD 287/4885FDPS 1593/4885LPAR3 101/4885

“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.