SCHEMBL2884957

SCHEMBL2884957

COc1cccc(C(c2ccc(C(F)(F)F)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 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRK1 P41145 1/20 0.46
CASR P41180 3/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C1 Q04828 1/20 0.45
CACNA1A O00555 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNB1 Q02641 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PPARG P37231 3/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDM4E B2RXH2 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 0.89 L3MBTL1 (0.47) CASRAKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL2887225 0.86 MEN1 (0.46) MEN1KMT2ALMNASMN1; SMN2AKR1C3
SCHEMBL2882340 0.83 MTNR1A (0.58) AKR1C3AKR1C2AKR1C1L3MBTL1MTNR1A
SCHEMBL2887334 0.79 KCNA5 (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1MTNR1A
SCHEMBL6473252 0.78 CASR (0.50) MEN1KMT2ALMNAPOLBHTT
SCHEMBL2884954 0.77 CACNA1A (0.48) MEN1KMT2ALMNAPOLBHTT
SCHEMBL2884949 0.77 CACNA1A (0.48) MEN1KMT2ALMNAPOLBHTT
SCHEMBL4432893 0.73 SLC6A2 (0.51) MEN1KMT2ACASRL3MBTL1MTNR1A
SCHEMBL2807555 0.70 L3MBTL1 (0.46) AKR1C3AKR1C2L3MBTL1MTNR1AMTNR1B
SCHEMBL7688670 0.69 L3MBTL1 (0.54) LMNAL3MBTL1MTNR1AMTNR1B

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 3157/4885LMNA 3282/4885

“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.