SCHEMBL13008930

SCHEMBL13008930

CC(C)(C)c1ccc(CC2CC(C(=O)O)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 3/20 0.45
▸ S1PR1 P21453 3/20 0.45
▸ S1PR5 Q9H228 3/20 0.45
▸ S1PR3 Q99500 1/20 0.42
▸ NR1H4 Q96RI1 3/20 0.41
▸ EPHX2 P34913 3/20 0.41
▸ SLC13A5 Q86YT5 2/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ ESRRG P62508 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL13186436 0.81 S1PR1 (0.50) S1PR4S1PR1S1PR5S1PR3SMN1; SMN2
SCHEMBL13008775 0.81 KMT2A (0.51) SMN1; SMN2LMNA
SCHEMBL7810455 0.79 GRIN2B (0.46) S1PR1S1PR5
SCHEMBL23118028 0.78 GRIK1 (0.49) NR1H4EPHX2ESRRG
SCHEMBL10690266 0.75 AKR1C3 (0.47) S1PR4S1PR1S1PR5SMN1; SMN2LMNA
SCHEMBL31643673 0.75 CYP19A1 (0.47) —
SCHEMBL13242411 0.73 S1PR5 (0.74) S1PR4S1PR1S1PR5S1PR3
SCHEMBL4576836 0.73 L3MBTL1 (0.53) —
SCHEMBL10699635 0.73 POLB (0.41) KDM1AHDAC6
SCHEMBL5791973 0.71 MEN1 (0.60) S1PR4S1PR1S1PR5S1PR3RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 — — US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 — — US disclosed
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 (2 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 S1PR4 3258/4885S1PR1 2815/4885S1PR5 3041/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 S1PR4 3394/4885S1PR1 2931/4885S1PR5 3177/4885

“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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