SCHEMBL2882337

SCHEMBL2882337

COc1cccc(C(CC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.58
MTNR1B P49286 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.45
AKR1C3 P42330 6/20 0.42
AKR1C2 P52895 6/20 0.42
PTGS1 P23219 3/20 0.42
AKR1C1 Q04828 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 3/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2882332 1.00 MTNR1A (0.58) MTNR1AMTNR1BL3MBTL1AKR1C3AKR1C2
SCHEMBL2885762 0.91 MTNR1A (0.54) MTNR1AMTNR1BL3MBTL1FFAR1
SCHEMBL2882501 0.89 MTNR1A (0.49) MTNR1AMTNR1BL3MBTL1MEN1LMNA
SCHEMBL2882505 0.89 MTNR1A (0.49) MTNR1AMTNR1BL3MBTL1MEN1LMNA
SCHEMBL2887223 0.87 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1MEN1MAPT
SCHEMBL2887219 0.87 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1MEN1MAPT
SCHEMBL2882707 0.85 MTNR1A (0.70) MTNR1AMTNR1BL3MBTL1AKR1C3AKR1C2
SCHEMBL2882710 0.85 MTNR1A (0.70) MTNR1AMTNR1BL3MBTL1AKR1C3AKR1C2
SCHEMBL2884954 0.84 CACNA1A (0.48) MTNR1AMTNR1BL3MBTL1AKR1C3AKR1C2
SCHEMBL2884949 0.84 CACNA1A (0.48) MTNR1AMTNR1BL3MBTL1AKR1C3AKR1C2

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.