SCHEMBL15043686

SCHEMBL15043686

CCCCC(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CNR2 P34972 9/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BCL2 P10415 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL22175881 0.94 CNR2 (0.56) POLBSMN1; SMN2L3MBTL1CNR2MEN1
SCHEMBL12936023 0.87 MEN1 (0.48) POLBSMN1; SMN2L3MBTL1CNR2MEN1
SCHEMBL14479566 0.81 CNR2 (0.50) CNR2ESR1ESR2
SCHEMBL20927022 0.80 SMN1; SMN2 (0.44) POLBSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL11546887 0.79 CNR2 (0.49) CNR2ESR1ESR2
SCHEMBL199438 0.79 CNR2 (0.49) CNR2ESR1ESR2
SCHEMBL2028907 0.79 CNR2 (0.56) CNR2ESR1ESR2
SCHEMBL25922495 0.79 CNR2 (0.49) CNR2ESR1ESR2
SCHEMBL12981588 0.79 CNR2 (0.49) CNR2ESR1ESR2
SCHEMBL199439 0.79 ESR1 (0.68) CNR2ESR1ESR2

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
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP disclosed
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 POLB 3747/4885SMN1; SMN2 1883/4885L3MBTL1 1591/4885

“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.