SCHEMBL4514958

SCHEMBL4514958

Oc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TTR P02766 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX12 P18054 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
P2RY1 P47900 1/20 0.46
PLAU P00749 1/20 0.45

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
SCHEMBL11296580 0.88 HPGD (0.53) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL29352050 0.85 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL10940178 0.85 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL10936260 0.82 TTR (0.53) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL3790316 0.82 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL5989716 0.81 HTR2C (0.48) CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2
SCHEMBL5989352 0.81 KCNH2 (0.56) CYP1A2CYP2C9CYP2C19MAPTSMN1; SMN2
SCHEMBL5991900 0.81 PTGER4 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5989737 0.81 L3MBTL1 (0.63) NPSR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5380053 0.80 THRA (0.56) MAPTSMN1; SMN2TTRALDH1A1

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-7608639-B2 Phenoxyether derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-27 US disclosed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1675814-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-07-05 EP disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005037763-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-28 WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO 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-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis PPARA, PPARG, PPARD CYP1A2 531/4885CYP3A4 892/4885CYP2C9 807/4885

“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.