SCHEMBL13186436

SCHEMBL13186436

CCc1ccc(CC2CC(C(=O)O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.50
▸ S1PR5 Q9H228 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ TP53 P04637 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PLK1 P53350 1/20 0.38
▸ S1PR3 Q99500 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37

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
SCHEMBL7810455 0.83 GRIN2B (0.46) S1PR1S1PR5
SCHEMBL13008930 0.81 S1PR4 (0.45) S1PR1S1PR5SMN1; SMN2S1PR3S1PR4
SCHEMBL31643673 0.79 CYP19A1 (0.47) ALDH1A1HTT
SCHEMBL21093397 0.74 ALDH1A1 (0.43) ALDH1A1
SCHEMBL21093634 0.73 GRIN2B (0.44) ALDH1A1
SCHEMBL31276928 0.72 GBA1 (0.43) ALDH1A1TP53
SCHEMBL26144434 0.71 AKR1C3 (0.51) ALDH1A1
SCHEMBL2993003 0.71 ALDH1A1 (0.50) S1PR1S1PR5ALDH1A1SMN1; SMN2PLK1
SCHEMBL2993000 0.71 ALDH1A1 (0.50) S1PR1S1PR5ALDH1A1SMN1; SMN2PLK1
SCHEMBL2993005 0.71 ALDH1A1 (0.50) S1PR1S1PR5ALDH1A1SMN1; SMN2PLK1

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-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 — — US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 — — 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-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 S1PR1 2931/4885S1PR5 3177/4885ALDH1A1 303/4885

“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.

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