SCHEMBL2887332

SCHEMBL2887332

COc1cccc(C(CC(=O)OC(C)(C)C)c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.53
KCNA5 P22460 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CTSA P10619 1/20 0.42
THRB P10828 1/20 0.42
ROCK2 O75116 1/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP1B1 Q16678 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 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
SCHEMBL2887330 1.00 PDE4D (0.53) PDE4DKCNA5L3MBTL1MEN1KMT2A
SCHEMBL2885762 0.88 MTNR1A (0.54) L3MBTL1TDP1MTNR1AMTNR1BCTSA
SCHEMBL2882505 0.85 MTNR1A (0.49) L3MBTL1MEN1KMT2ATDP1MTNR1A
SCHEMBL2882501 0.85 MTNR1A (0.49) L3MBTL1MEN1KMT2ATDP1MTNR1A
SCHEMBL2887223 0.83 MTNR1A (0.47) L3MBTL1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL2887219 0.83 MTNR1A (0.47) L3MBTL1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL2882337 0.82 MTNR1A (0.58) L3MBTL1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL2882332 0.82 MTNR1A (0.58) L3MBTL1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL2884954 0.81 CACNA1A (0.48) L3MBTL1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL27511396 0.81 PDE4D (0.52) PDE4DKCNA5L3MBTL1MEN1KMT2A

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 PDE4D 4258/4885KCNA5 771/4885L3MBTL1 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.