SCHEMBL10179398

SCHEMBL10179398

CC(C)CCC(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
ADRB2 P07550 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A4 P31645 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
CYP19A1 P11511 1/20 0.36
BCL2 P10415 1/20 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
SCHEMBL10178410 0.89 MEN1 (0.50) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL25946132 0.81 KMT2A (0.55) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL21504867 0.80 MAPT (0.46) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL2850041 0.80 HTT (0.38) MEN1KMT2ANPSR1ALDH1A1LMNA
SCHEMBL25865911 0.80 SHBG (0.53) MEN1KMT2AALDH1A1LMNASLC6A4
SCHEMBL10179124 0.79 MEN1 (0.44) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL18016866 0.79 GRIN2D (0.49) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL6681496 0.79 TAAR1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL11003151 0.78 GRIN2D (0.53) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL17718567 0.77 LMNA (0.41) MEN1KMT2AKCNH2ALDH1A1LMNA

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 MEN1 1450/4885KMT2A 4128/4885GRIN2D 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.