SCHEMBL4919804

SCHEMBL4919804

CCC(COc1ccc(OCc2cc(-c3ccc(OCc4ccccc4)cc3)no2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
L3MBTL1 Q9Y468 5/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
MAPT P10636 3/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 2/20 0.48
SMPD1 P17405 1/20 0.47
MCL1 Q07820 2/20 0.45
TP53 P04637 1/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL4907816 0.91 RAB9A (0.55) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL4919797 0.86 RAB9A (0.51) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL14707191 0.81 RAB9A (0.61) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL1566912 0.79 RAB9A (0.54) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL4919792 0.79 RAB9A (0.56) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL189840 0.78 RAB9A (0.59) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL189386 0.78 RAB9A (0.56) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL189489 0.78 RAB9A (0.58) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL190134 0.78 RAB9A (0.58) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL189581 0.78 RAB9A (0.55) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1

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 2 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
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.