SCHEMBL4863236

SCHEMBL4863236

CCC(C)(Oc1ccc(OCCCc2cc(-c3ccc(C)cc3)no2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.45
MAPT P10636 2/20 0.43
PPARG P37231 9/20 0.41
PPARD Q03181 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL14269427 0.92 SMN1; SMN2 (0.46) PPARAMAPTPPARGPPARDSMN1; SMN2
SCHEMBL14269426 0.92 SMN1; SMN2 (0.46) PPARAMAPTPPARGPPARDSMN1; SMN2
SCHEMBL14269421 0.92 SMN1; SMN2 (0.46) PPARAMAPTPPARGPPARDSMN1; SMN2
SCHEMBL4874065 0.91 L3MBTL1 (0.48) PPARAMAPTPPARGPPARDSMN1; SMN2
SCHEMBL14269445 0.90 MAPT (0.43) PPARAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14269432 0.90 PPARD (0.45) PPARAMAPTPPARGPPARDSMN1; SMN2
SCHEMBL4873662 0.89 RAB9A (0.53) PPARAMAPTPPARGSMN1; SMN2NPC1
SCHEMBL14269428 0.87 PPARA (0.48) PPARAMAPTPPARGPPARDSMN1; SMN2
SCHEMBL14294199 0.86 RAB9A (0.52) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL5796153 0.85 PPARA (0.44) PPARAPPARGPPARDRAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity DR REDDY'S LABORATORIES LIMITED (IN) 2008-02-21 US disclosed
US-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity DR REDDY'S LABORATORIES LIMITED (IN) 2008-02-21 US disclosed
US-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity DR REDDY'S LABORATORIES LIMITED (IN) 2008-02-21 US disclosed
WO-2006042245-A1 NOVEL ISOXAZOLE COMPOUNDS HAVING PPAR AGONIST ACTIVITY DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity PPARG, PPARA, PPARD PPARA 2/4885MAPT 4408/4885PPARG 1/4885

“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.