SCHEMBL10179261

SCHEMBL10179261

CC(C)CC1(c2ccccc2)CCCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.48
GRIN2A Q12879 3/20 0.48
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
CYP19A1 P11511 1/20 0.43
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
SLC6A4 P31645 4/20 0.36
OPRK1 P41145 1/20 0.36
LMNA P02545 1/20 0.36
OPRM1 P35372 1/20 0.36
CACNA1C Q13936 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL10178152 0.85 GRIN1 (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL11377939 0.82 GRIN1 (0.63) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL10178594 0.80 CYP19A1 (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15043630 0.79 GRIN1 (0.52) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL6294302 0.79 DPP4 (0.50) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL11188738 0.76 GRIN2D (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL11605620 0.76 GRIN2D (0.49) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL25368706 0.75 GRIN2D (0.44) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL435412 0.75 GRIN2D (0.44) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8923932 0.75 GRIN2D (0.48) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO 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-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 GRIN1 606/4885GRIN2A 1492/4885GRIN2D 2089/4885

“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.