SCHEMBL5367947

SCHEMBL5367947

CC[C@](C)(Oc1ccc(O)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.60
PPARA Q07869 8/20 0.56
PPARG P37231 7/20 0.56
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ELANE P08246 2/20 0.45
OPRK1 P41145 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.42
BLM P54132 1/20 0.42
ESR1 P03372 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 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
SCHEMBL5141872 1.00 ADORA3 (0.60) ADORA3PPARAPPARGMEN1KMT2A
SCHEMBL5369095 1.00 ADORA3 (0.60) ADORA3PPARAPPARGMEN1KMT2A
SCHEMBL11548490 0.87 ADORA3 (0.61) ADORA3PPARAPPARGMEN1KMT2A
SCHEMBL5531801 0.86 ADORA3 (0.47) ADORA3PPARAPPARGMEN1KMT2A
SCHEMBL13846158 0.86 ADORA3 (0.60) ADORA3PPARAPPARGOPRK1ALDH1A1
SCHEMBL8935672 0.86 ADORA3 (0.60) ADORA3PPARAPPARGMEN1KMT2A
SCHEMBL8935669 0.86 ADORA3 (0.60) ADORA3PPARAPPARGMEN1KMT2A
SCHEMBL1960387 0.85 PPARG (0.62) ADORA3PPARAPPARGMEN1KMT2A
SCHEMBL28567745 0.85 ESR1 (0.49) ADORA3PPARAPPARGMEN1KMT2A
SCHEMBL10151372 0.84 ADORA3 (0.58) ADORA3PPARAPPARGOPRK1MAPT

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-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 claimed
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 claimed

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-20060194980-A1 Process for the preparation of optically pure isomers of 2-(4-hydroxy phenoxy)-2-methyl-butyric acid methyl ester HBB, GABBR2, GABRB2 ADORA3 2803/4885PPARA 2134/4885PPARG 2787/4885

“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.