SCHEMBL2886563

SCHEMBL2886563

COc1cccc([C@@H](CC(=O)c2ccccc2)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.62
MTNR1A P48039 3/20 0.58
MTNR1B P49286 3/20 0.58
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD1 P21728 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 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
SCHEMBL2886568 1.00 L3MBTL1 (0.62) L3MBTL1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL2882114 0.94 L3MBTL1 (0.63) L3MBTL1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL2882111 0.94 L3MBTL1 (0.63) L3MBTL1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL12174660 0.87 L3MBTL1 (0.62) L3MBTL1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL2397228 0.84 L3MBTL1 (0.69) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL6306108 0.84 MTNR1A (0.63) L3MBTL1MTNR1AMTNR1BTDP1
SCHEMBL31326036 0.83 KMT2A (0.70) L3MBTL1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL9393589 0.83 L3MBTL1 (0.60) L3MBTL1MTNR1AMTNR1BKMT2A
SCHEMBL27685616 0.82 L3MBTL1 (0.52) L3MBTL1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL12158740 0.82 L3MBTL1 (0.62) L3MBTL1MTNR1AMTNR1BNPC1RAB9A

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 L3MBTL1 556/4885MTNR1A 2869/4885MTNR1B 2349/4885

“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.