SCHEMBL5631372

SCHEMBL5631372

COC(=O)C=Cc1ccccc1[C@@H](C)OC[C@H]1CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 8/20 0.37
KDM4E B2RXH2 8/20 0.37
HPGD P15428 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 5/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2478868 1.00 MGLL (0.44) MGLLNFE2L2ALDH1A1KDM4EHPGD
SCHEMBL2480349 0.88 MGLL (0.47) MGLLL3MBTL1CYP2C9CYP2C19LMNA
SCHEMBL2672639 0.88 MGLL (0.43) MGLLALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL2672628 0.88 MGLL (0.43) MGLLALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL2672634 0.88 MGLL (0.43) MGLLALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL2474129 0.84 CYP2C19 (0.42) MGLLALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL2672423 0.81 PAM (0.39) MGLLKMT2AMEN1TDP1
SCHEMBL2474137 0.81 MGLL (0.39) MGLLALDH1A1KMT2AMEN1TDP1
SCHEMBL2672425 0.81 PAM (0.39) MGLLKMT2AMEN1TDP1
SCHEMBL2474133 0.81 MGLL (0.39) MGLLALDH1A1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285572-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20060135572-A1 CaSR antagonist JAPAN TOBACCO INC. (JP) 2006-06-22 US disclosed
EP-1630157-A1 CaSR ANTAGONIST JAPAN TOBACCO INC. (JP) 2006-03-01 EP 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-20060135572-A1 CaSR antagonist CASR, CALCR, CALCRL MGLL 4703/4885NFE2L2 3109/4885ALDH1A1 4098/4885

“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.