SCHEMBL10247191

SCHEMBL10247191

CC(C)(C)CNCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SLC22A6 Q4U2R8 2/20 0.42
ADRA1A P35348 1/20 0.41
TSHR P16473 5/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
AKR1B1 P15121 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR2 O95136 1/20 0.39
PRMT1 Q99873 1/20 0.39
PPARG P37231 5/20 0.38
PPARD Q03181 5/20 0.38
PPARA Q07869 5/20 0.38
HDAC11 Q96DB2 4/20 0.38
GPR84 Q9NQS5 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38

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
SCHEMBL2421572 0.94 ADRA1A (0.48) LMNASLC22A6ADRA1ATSHRNFKB1
SCHEMBL15197024 0.86 EGLN1 (0.39) LMNASLC22A6ADRA1ATSHRKMT2A
SCHEMBL4075807 0.82 ADRA1A (0.37) LMNASLC22A6ADRA1ATSHRNFKB1
SCHEMBL28818283 0.78 LMNA (0.42) LMNASLC22A6ADRA1ATSHRNFKB1
SCHEMBL112741 0.78 LMNA (0.59) LMNASLC22A6ADRA1ATSHRNFKB1
SCHEMBL5541180 0.78 PRMT1 (0.59) ADRA1APRMT1
SCHEMBL496333 0.77 EGLN1 (0.37) LMNAADRA1ATSHRALDH1A1TDP1
SCHEMBL16485201 0.76 PAOX (0.38) ADRA1AHDAC11ALDH1A1
SCHEMBL28726130 0.76 ADRA1A (0.48) LMNASLC22A6ADRA1ATSHRNFKB1
SCHEMBL28927196 0.76 ADRA1A (0.48) LMNASLC22A6ADRA1ATSHRNFKB1

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-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB LMNA 4847/4885SLC22A6 2128/4885ADRA1A 4126/4885

“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.