SCHEMBL12432162

SCHEMBL12432162

CCOc1ccc(-c2ccc(C(=O)O)cc2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.60
HCRTR2 O43614 1/20 0.60
RARB P10826 5/20 0.58
PLA2G4B P0C869 1/20 0.55
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
PTPN11 Q06124 1/20 0.52
SRD5A2 P31213 3/20 0.52
PPARD Q03181 1/20 0.51

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
SCHEMBL3750003 0.91 RXRA (0.61) HCRTR1HCRTR2RARBPLA2G4BCSNK2A2
SCHEMBL23602940 0.88 HSD17B1 (0.55) HCRTR1HCRTR2RARBPLA2G4BSMN1; SMN2
SCHEMBL2228731 0.88 HCRTR1 (0.56) HCRTR1HCRTR2RARBPLA2G4BCSNK2A2
SCHEMBL29997664 0.88 HSD17B1 (0.55) HCRTR1HCRTR2RARBPLA2G4BSMN1; SMN2
SCHEMBL4817656 0.88 PTPN11 (0.55) RARBPLA2G4BTP53PKMPTPN11
SCHEMBL7169579 0.86 RARB (0.72) RARBPLA2G4BTP53PTPN11
SCHEMBL9394690 0.83 NR4A2 (0.64) RARBPLA2G4BRXRARXRBSMN1; SMN2
SCHEMBL5024584 0.83 SMN1; SMN2 (0.59) RARBRXRASMN1; SMN2ADH5
SCHEMBL11507830 0.82 RARB (0.63) RARBRXRARXRBSMN1; SMN2TP53
SCHEMBL11584623 0.82 HCRTR1 (0.56) HCRTR1HCRTR2RARBPLA2G4BCSNK2A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 EP disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US 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-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 HCRTR1 1546/4885HCRTR2 567/4885RARB 4688/4885

“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.