SCHEMBL4873662

SCHEMBL4873662

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
NPC1 O15118 4/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.44
ADRB2 P07550 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL4907797 0.93 RAB9A (0.54) RAB9AL3MBTL1NPC1MAPTSMN1; SMN2
SCHEMBL14269430 0.92 RAB9A (0.59) RAB9AL3MBTL1NPC1MAPTSMN1; SMN2
SCHEMBL14269451 0.92 SMN1; SMN2 (0.65) RAB9AL3MBTL1NPC1MAPTSMN1; SMN2
SCHEMBL14269419 0.92 RAB9A (0.62) RAB9AL3MBTL1NPC1MAPTSMN1; SMN2
SCHEMBL14269434 0.91 RAB9A (0.61) RAB9AL3MBTL1NPC1MAPTSMN1; SMN2
SCHEMBL14294199 0.91 RAB9A (0.52) RAB9AL3MBTL1NPC1MAPTSMN1; SMN2
SCHEMBL14269439 0.90 SMN1; SMN2 (0.51) RAB9AL3MBTL1NPC1MAPTSMN1; SMN2
SCHEMBL4919792 0.90 RAB9A (0.56) RAB9AL3MBTL1NPC1MAPTSMN1; SMN2
SCHEMBL4863236 0.89 PPARA (0.45) RAB9AL3MBTL1NPC1MAPTSMN1; SMN2
SCHEMBL14269422 0.89 RAB9A (0.50) RAB9AL3MBTL1NPC1MAPTSMN1; SMN2

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 4836/4885NPC1 1042/4885

“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.