SCHEMBL15042435

SCHEMBL15042435

CC(C)CC[C@@]1(C)CCCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CDC25A P30304 1/20 0.34
CETP P11597 6/20 0.33
CYP19A1 P11511 1/20 0.33
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL10178235 1.00 LMNA (0.34) LMNACDC25ACETPCYP19A1GRIN2D
SCHEMBL3534457 0.81 GRIN1 (0.35) LMNACDC25ACYP19A1GRIN2DGRIN3B
SCHEMBL15043641 0.79 GRIN1 (0.36) LMNACETPGRIN2DGRIN3BGRIN1
SCHEMBL3539164 0.79 GRIN1 (0.36) LMNACETPGRIN2DGRIN3BGRIN1
SCHEMBL15043702 0.79 GRIN1 (0.36) LMNACETPGRIN2DGRIN3BGRIN1
SCHEMBL10032695 0.76
SCHEMBL573648 0.74 SIRT2 (0.40) CETPCYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL3531548 0.74 GRIN1 (0.41) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7495343 0.73 MME (0.39) CDC25A
SCHEMBL7495347 0.73 MME (0.39) CDC25A

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-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

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 LMNA 3079/4885CDC25A 1326/4885CETP 1578/4885

“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.