SCHEMBL2882340

SCHEMBL2882340

COc1cccc(C(c2ccc3ccccc3c2)[C@H](C(=O)O)C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.58
MTNR1B P49286 4/20 0.58
AKR1C3 P42330 6/20 0.49
AKR1C2 P52895 6/20 0.49
PTGS1 P23219 3/20 0.47
AKR1C1 Q04828 1/20 0.47
PTGS2 P35354 3/20 0.47
CDC42 P60953 1/20 0.47
RAC1 P63000 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL2882507 0.88 L3MBTL1 (0.47) MTNR1AMTNR1BAKR1C3AKR1C2PTGS1
SCHEMBL2887225 0.86 MEN1 (0.46) MTNR1AMTNR1BAKR1C3AKR1C2TSHR
SCHEMBL2884957 0.83 MEN1 (0.46) MTNR1AMTNR1BAKR1C3AKR1C2AKR1C1
SCHEMBL2887334 0.81 KCNA5 (0.47) MTNR1AMTNR1BCYP1A2TSHRL3MBTL1
SCHEMBL2882710 0.79 MTNR1A (0.70) MTNR1AMTNR1BAKR1C3AKR1C2PTGS1
SCHEMBL2882707 0.79 MTNR1A (0.70) MTNR1AMTNR1BAKR1C3AKR1C2PTGS1
SCHEMBL2882332 0.78 MTNR1A (0.58) MTNR1AMTNR1BAKR1C3AKR1C2PTGS1
SCHEMBL2882337 0.78 MTNR1A (0.58) MTNR1AMTNR1BAKR1C3AKR1C2PTGS1
SCHEMBL6791737 0.78 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2L3MBTL1
SCHEMBL12383240 0.76 MTNR1A (0.53) MTNR1AMTNR1BAKR1C3AKR1C2PTGS1

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 MTNR1A 2869/4885MTNR1B 2349/4885AKR1C3 2525/4885

“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.