SCHEMBL2887225

SCHEMBL2887225

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CCKAR P32238 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
AOC3 Q16853 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL2882507 0.92 L3MBTL1 (0.47) L3MBTL1MTNR1AMTNR1BAOC3CHRM2
SCHEMBL2884957 0.86 MEN1 (0.46) MEN1KMT2AL3MBTL1MTNR1AMTNR1B
SCHEMBL2882340 0.86 MTNR1A (0.58) L3MBTL1MTNR1AMTNR1BTSHRAKR1C3
SCHEMBL2887334 0.81 KCNA5 (0.47) MEN1KMT2AL3MBTL1MTNR1AMTNR1B
SCHEMBL2887219 0.75 MTNR1A (0.47) MEN1KMT2AL3MBTL1CCKARMTNR1A
SCHEMBL2887223 0.75 MTNR1A (0.47) MEN1KMT2AL3MBTL1CCKARMTNR1A
SCHEMBL2807555 0.73 L3MBTL1 (0.46) L3MBTL1MTNR1AMTNR1BTSHRAKR1C3
SCHEMBL7688670 0.72 L3MBTL1 (0.54) L3MBTL1MTNR1AMTNR1BAOC3LMNA
SCHEMBL2847001 0.71 AKR1C3 (0.50) L3MBTL1CCKARMTNR1AMTNR1BAOC3
SCHEMBL11390762 0.71 AKR1C3 (0.69) L3MBTL1MTNR1AMTNR1BAOC3TSHR

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 1 patent. 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

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 MEN1 4377/4885KMT2A 3157/4885L3MBTL1 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.