SCHEMBL4863258

SCHEMBL4863258

CCC(C)(Oc1ccc(OCc2ccccc2)cc1)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 1/20 0.57
MAOB P27338 1/20 0.55
PPARG P37231 4/20 0.54
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
PARP10 Q53GL7 1/20 0.51
ALDH1A1 P00352 3/20 0.50
PPARA Q07869 2/20 0.50
SRD5A2 P31213 1/20 0.50

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
SCHEMBL14487046 1.00 KDM4E (0.57) KDM4EMEN1KMT2AMAPTMAOB
SCHEMBL14487049 1.00 KDM4E (0.57) KDM4EMEN1KMT2AMAPTMAOB
SCHEMBL3824878 0.88 MAOB (0.54) KDM4EMEN1KMT2AMAPTMAOB
SCHEMBL3824575 0.88 MAOB (0.54) KDM4EMEN1KMT2AMAPTMAOB
SCHEMBL3829423 0.88 MAOB (0.54) KDM4EMEN1KMT2AMAPTMAOB
SCHEMBL5660644 0.88 OPRK1 (0.60) KDM4EMEN1KMT2AMAPTMAOB
SCHEMBL4865374 0.87 PPARG (0.61) KDM4EMEN1KMT2AMAPTMAOB
SCHEMBL5365883 0.87 PPARG (0.61) KDM4EMEN1KMT2AMAPTMAOB
SCHEMBL5365583 0.87 PPARG (0.61) KDM4EMEN1KMT2AMAPTMAOB
SCHEMBL14926312 0.85 PPARG (0.48) MEN1KMT2AMAPTPPARGNPC1

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-7230129-B2 Process for the preparation of optically pure isomers of 2-(4-hydroxy phenoxy)-2-methyl-butyric acid methyl ester DR. REDDY'S LABORATORIES LIMITED (IN) 2007-06-12 US disclosed
US-20060194980-A1 Process for the preparation of optically pure isomers of 2-(4-hydroxy phenoxy)-2-methyl-butyric acid methyl ester DR. REDDY'S LABORATORIES LIMITED (IN) 2006-08-31 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 (2 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 KDM4E 3723/4885MEN1 4842/4885KMT2A 3932/4885
US-20060194980-A1 Process for the preparation of optically pure isomers of 2-(4-hydroxy phenoxy)-2-methyl-butyric acid methyl ester HBB, GABBR2, GABRB2 KDM4E 32/4885MEN1 3285/4885KMT2A 254/4885

“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.