SCHEMBL14110397

SCHEMBL14110397

Cc1ccc(CCC(=O)OC(C)(C)C)c(CBr)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
FFAR4 Q5NUL3 1/20 0.33
STING1 Q86WV6 1/20 0.33
SLC13A5 Q86YT5 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
SCHEMBL14110364 0.88 CYP4F2 (0.41) CYP4F2CYP4A11PTGER1PTGER4PTGER3
SCHEMBL14110466 0.87 CYP4F2 (0.47) CYP4F2CYP4A11PTGER1PTGER4PTGER3
SCHEMBL14110338 0.86 CYP4F2 (0.36) CYP4F2CYP4A11PTGER1PTGER4PTGER3
SCHEMBL14369971 0.83 HDAC8 (0.37) CYP4F2CYP4A11PTGER1PTGER4PTGER3
SCHEMBL14110360 0.80 CSNK2A1 (0.42) PTGER1PTGER4PTGER3PTGER2HDAC8
SCHEMBL15053570 0.77 MTNR1A (0.35) MTNR1AMTNR1BSTING1
SCHEMBL6209967 0.76 CYP4F2 (0.53) CYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL8439136 0.75 CYP4F2 (0.53) CYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL4893750 0.74 MTNR1A (0.32) CYP4F2CYP4A11MTNR1AMTNR1BSTING1
SCHEMBL21732908 0.74 MTNR1A (0.44) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 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-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD CYP4F2 304/4885CYP4A11 60/4885PTGER1 206/4885

“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.