SCHEMBL2884954

SCHEMBL2884954

COc1cccc(C(CC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1A O00555 1/20 0.48
CACNA2D1 P54289 1/20 0.48
CACNB1 Q02641 1/20 0.48
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
FFAR1 O14842 4/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRK1 P41145 2/20 0.44
CASR P41180 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 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
SCHEMBL2884949 1.00 CACNA1A (0.48) CACNA1ACACNA2D1CACNB1MTNR1AMTNR1B
SCHEMBL2882501 0.89 MTNR1A (0.49) CACNA2D1CACNB1MTNR1AMTNR1BFFAR1
SCHEMBL2882505 0.89 MTNR1A (0.49) CACNA2D1CACNB1MTNR1AMTNR1BFFAR1
SCHEMBL2885762 0.89 MTNR1A (0.54) MTNR1AMTNR1BFFAR1CASRL3MBTL1
SCHEMBL2887223 0.87 MTNR1A (0.47) MTNR1AMTNR1BFFAR1MEN1KMT2A
SCHEMBL2887219 0.87 MTNR1A (0.47) MTNR1AMTNR1BFFAR1MEN1KMT2A
SCHEMBL2882337 0.84 MTNR1A (0.58) MTNR1AMTNR1BFFAR1MEN1LMNA
SCHEMBL2882332 0.84 MTNR1A (0.58) MTNR1AMTNR1BFFAR1MEN1LMNA
SCHEMBL2887330 0.81 PDE4D (0.53) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2
SCHEMBL2887332 0.81 PDE4D (0.53) MTNR1AMTNR1BMEN1KMT2ASMN1; SMN2

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 CACNA1A 2192/4885CACNA2D1 1753/4885CACNB1 773/4885

“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.