SCHEMBL2887219

SCHEMBL2887219

COc1cccc([C@@H](CC(=O)OC(C)(C)C)c2ccc(C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.47
MTNR1B P49286 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR1 O14842 2/20 0.42
CTSA P10619 2/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
BCHE P06276 1/20 0.40
CCKAR P32238 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL2887223 1.00 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL2882505 0.93 MTNR1A (0.49) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL2882501 0.93 MTNR1A (0.49) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL2885762 0.92 MTNR1A (0.54) MTNR1AMTNR1BL3MBTL1FFAR1CTSA
SCHEMBL2884949 0.87 CACNA1A (0.48) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL2884954 0.87 CACNA1A (0.48) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL2882332 0.87 MTNR1A (0.58) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL2882337 0.87 MTNR1A (0.58) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL9413687 0.86 CACNA2D1 (0.47) MEN1KMT2AFFAR1MAPT
SCHEMBL2887330 0.83 PDE4D (0.53) MTNR1AMTNR1BL3MBTL1MEN1KMT2A

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-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND MSD K.K. (JP) 2010-05-13 US disclosed
EP-2042478-A1 METHOD FOR PRODUCING -DIARYL ELECTRON-WITHDRAWING GROUP SUBSTITUTED COMPOUND Japan Science and Technology Agency (JP) 2009-04-01 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-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND BMP6, GPR6, ACSL6 MTNR1A 2869/4885MTNR1B 2349/4885L3MBTL1 556/4885

“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.