SCHEMBL2886224

SCHEMBL2886224

CN(C)c1ccc([C@@H](CC(=O)OC(C)(C)C)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.49
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CNR2 P34972 1/20 0.44
TACR1 P25103 1/20 0.42
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9413687 0.84 CACNA2D1 (0.47) ALDH1A1CNR2HPGDMAPTSMN1; SMN2
SCHEMBL6699794 0.82 NPSR1 (0.50) ALDH1A1GAAKDM4EHPGDNPC1
SCHEMBL2886318 0.81 TDP1 (0.52) GAAL3MBTL1CNR2TACR1HPGD
SCHEMBL127648 0.78 CHRNB2 (0.49) ALDH1A1GAAL3MBTL1KDM4EMEN1
SCHEMBL9413681 0.77 BRD4 (0.44) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL2890299 0.77 TNF (0.47) ALDH1A1L3MBTL1HPGDMAPTSMN1; SMN2
SCHEMBL10334656 0.75 GAA (0.41) ALDH1A1GAAL3MBTL1CNR2HPGD
SCHEMBL28857505 0.75 RIPK1 (0.51) ALDH1A1L3MBTL1KDM4ERAB9ANPC1
SCHEMBL5654433 0.75 RIPK1 (0.51) ALDH1A1L3MBTL1KDM4ERAB9ANPC1
SCHEMBL2885762 0.75 MTNR1A (0.54) L3MBTL1TACR1FFAR1TDP1

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 GPBAR1 2138/4885ALDH1A1 998/4885GAA 1713/4885

“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.