SCHEMBL4136700

SCHEMBL4136700

C=CCNCCCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PPARA Q07869 4/20 0.50
LTA4H P09960 8/20 0.48
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
MITF O75030 1/20 0.42

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
SCHEMBL5118424 0.84 PPARA (0.51) NPC1RAB9ASMN1; SMN2PPARAPPARG
SCHEMBL3998978 0.81 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL6714997 0.81 PPARA (0.58) GAAPPARAPPARGPPARD
SCHEMBL6713621 0.80 PPARA (0.57) PPARALTA4HPPARGPPARD
SCHEMBL2807182 0.78 PPARG (0.55) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL6722312 0.77 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL3996490 0.77 OPRK1 (0.51) ALDH1A1SMN1; SMN2PPARALTA4HPPARG
SCHEMBL14176244 0.76 LMNA (0.54) ALDH1A1KDM4EPPARAPPARGPPARD
SCHEMBL5213397 0.75 PPARG (0.52) ALDH1A1GAAKDM4ERAB9ASMN1; SMN2
SCHEMBL2804981 0.75 OPRK1 (0.51) ALDH1A1PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474385-B1 UREA LINKER DERIVATIVES FOR USE AS PPAR MODULATORS LILLY CO ELI (US) 2009-06-10 EP disclosed
US-6984661-B2 Urea linker derivatives for use as PPAR modulators ELI LILLY AND COMPANY (US) 2006-01-10 US disclosed
US-20050004183-A1 for preventing, Syndrome X, diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, atherosclerosis, and other disorders related to Syndrome X and cardiovascular diseases; peroxisome proliferator activated receptor (PPAR) ELI LILLY AND COMPANY 2005-01-06 US disclosed
EP-1474385-A1 UREA LINKER DERIVATIVES FOR USE AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-11-10 EP disclosed
WO-2003066581-A1 UREA LINKER DERIVATIVES FOR USE AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2003-08-14 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-20050004183-A1 for preventing, Syndrome X, diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, atherosclerosis, and other disorders related to Syndrome X and cardiovascular diseases; peroxisome proliferator activated receptor (PPAR) PPARA, GPR119, PPARD ALDH1A1 1454/4885GAA 3152/4885KDM4E 3731/4885

“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.