SCHEMBL12433155

SCHEMBL12433155

COc1cc(C(=O)O)cc(OC)c1OCc1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.73
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
NR4A2 P43354 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMPD1 P17405 1/20 0.54
RXRA P19793 1/20 0.54
MAPT P10636 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
CYP2C9 P11712 1/20 0.51
MEN1 O00255 1/20 0.51
CYP2D6 P10635 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
SCHEMBL12431984 0.87 POLB (0.60) MRGPRX4L3MBTL1POLBHSD17B10TDP1
SCHEMBL2317454 0.87 RXRA (0.61) MRGPRX4HDAC1HDAC8HDAC6L3MBTL1
SCHEMBL12432158 0.86 RXRA (0.57) MRGPRX4NR4A2L3MBTL1POLBHSD17B10
Hydrochloric Acid SCHEMBL16143333 0.85 RXRA (0.60) MRGPRX4HDAC1HDAC8HDAC6L3MBTL1
SCHEMBL12433003 0.85 RXRA (0.61) MRGPRX4NR4A2L3MBTL1POLBHSD17B10
SCHEMBL14906965 0.84 MRGPRX4 (1.00) MRGPRX4HDAC1HDAC8HDAC6NR4A2
SCHEMBL15673277 0.84 RXRA (0.62) MRGPRX4HDAC1HDAC8HDAC6L3MBTL1
SCHEMBL10323084 0.83 KDM4E (0.64) MRGPRX4HDAC1HDAC8HDAC6SMPD1
SCHEMBL6723445 0.83 RXRA (0.60) MRGPRX4NR4A2L3MBTL1POLBHSD17B10
SCHEMBL13339376 0.83 SMN1; SMN2 (0.57) MRGPRX4L3MBTL1POLBHSD17B10TDP1

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 MRGPRX4 1041/4885HDAC1 3156/4885HDAC8 2258/4885

“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.