SCHEMBL12433003

SCHEMBL12433003

COc1cc(C(=O)O)cc(OC)c1OCc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.61
RXRB P28702 2/20 0.61
RXRG P48443 2/20 0.61
NR4A2 P43354 1/20 0.60
MRGPRX4 Q96LA9 10/20 0.56
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
HSP90AA1 P07900 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
XBP1 P17861 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL2317454 0.86 RXRA (0.61) RXRAMRGPRX4MEN1LMNAKMT2A
SCHEMBL12431890 0.85 POLB (0.60) MRGPRX4MAOBTHRATHRBPOLB
SCHEMBL27955353 0.85 MRGPRX4 (0.65) NR4A2MRGPRX4MAOBPOLBHSD17B10
SCHEMBL12433155 0.85 MRGPRX4 (0.73) RXRANR4A2MRGPRX4MEN1LMNA
Hydrochloric Acid SCHEMBL16143333 0.85 RXRA (0.60) RXRAMRGPRX4MEN1LMNAKMT2A
SCHEMBL15673277 0.83 RXRA (0.62) RXRAMRGPRX4MEN1KMT2APOLB
SCHEMBL10323084 0.83 KDM4E (0.64) RXRARXRBMRGPRX4MEN1XBP1
SCHEMBL12431896 0.82 HTR1A (0.57) MEN1LMNACYP1A2HSP90AA1CYP3A4
SCHEMBL6721220 0.81 RXRA (0.64) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL29136466 0.78 HPGD (0.66) RXRAMRGPRX4MEN1LMNAKMT2A

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 RXRA 3630/4885RXRB 3647/4885RXRG 3055/4885

“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.