SCHEMBL4907797

SCHEMBL4907797

CCC(C)(Oc1ccc(OCc2cc(-c3ccc(O)cc3)no2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP1A2 P05177 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
SCHEMBL14269430 0.93 RAB9A (0.59) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1
SCHEMBL4873662 0.93 RAB9A (0.53) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1
SCHEMBL14269451 0.93 SMN1; SMN2 (0.65) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1
SCHEMBL14269419 0.93 RAB9A (0.62) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1
SCHEMBL14294199 0.92 RAB9A (0.52) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1
SCHEMBL14269434 0.92 RAB9A (0.61) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1
SCHEMBL4919792 0.91 RAB9A (0.56) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1
SCHEMBL14269467 0.90 RAB9A (0.50) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1
SCHEMBL14269422 0.90 RAB9A (0.50) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1
SCHEMBL4907146 0.89 RAB9A (0.49) RAB9AL3MBTL1SMN1; SMN2NPC1TDP1

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 RAB9A 2782/4885L3MBTL1 4836/4885SMN1; SMN2 4709/4885

“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.