SCHEMBL334154

SCHEMBL334154

COCOc1ccc(CO)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.40
FFAR1 O14842 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
TTR P02766 1/20 0.38
FYN P06241 1/20 0.36
DHFR P00374 1/20 0.36
PTPN1 P18031 1/20 0.36
HPGD P15428 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 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
SCHEMBL334082 0.86 SLC22A12 (0.40) FFAR4FFAR1NPC1POLBRAB9A
SCHEMBL4255554 0.85 NPC1 (0.48) NPC1POLBRAB9AS1PR1S1PR3
SCHEMBL31151091 0.82 CSNK2A1 (0.42) FFAR4FFAR1CRHBPCRHR2SMN1; SMN2
SCHEMBL334185 0.82 TTR (0.41) FFAR4FFAR1TTRHPGDCRHBP
SCHEMBL4262497 0.82 ALDH1A1 (0.42) NPC1POLBRAB9ATTRSMN1; SMN2
SCHEMBL6301878 0.82 POLB (0.56) NPC1POLBRAB9ATTRFYN
SCHEMBL10088505 0.81 S1PR1 (0.51) FFAR4FFAR1POLBS1PR1S1PR3
SCHEMBL3022833 0.81 CRHBP (0.50) NPC1POLBRAB9ATTRDHFR
SCHEMBL4754427 0.79 FFAR4 (0.38) FFAR4FFAR1S1PR1S1PR3PTPN1
SCHEMBL10603411 0.79 TTR (0.47) FFAR4FFAR1NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG FFAR4 35/4885FFAR1 39/4885NPC1 1742/4885

“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.