SCHEMBL10690266

SCHEMBL10690266

CC(C)(C)c1ccc(C2CC(C(=O)O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ SRD5A2 P31213 1/20 0.42
▸ SLC6A2 P23975 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ LIPE Q05469 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RARB P10826 1/20 0.39

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
SCHEMBL13008796 0.88 AKR1C3 (0.65) AKR1C3AKR1C1RAB9ANPC1MEN1
SCHEMBL10693605 0.86 RAB9A (0.43) RAB9ANPC1MEN1KMT2AMGLL
SCHEMBL23574937 0.84 RAB9A (0.60) AKR1C3AKR1C1RAB9ANPC1MEN1
SCHEMBL23575248 0.84 RAB9A (0.60) AKR1C3AKR1C1RAB9ANPC1MEN1
SCHEMBL23574936 0.84 RAB9A (0.60) AKR1C3AKR1C1RAB9ANPC1MEN1
SCHEMBL38656819 0.82 NOTUM (0.49) AKR1C3AKR1C1RAB9ANPC1SRD5A2
SCHEMBL13008767 0.81 SLC6A2 (0.54) RAB9ANPC1MEN1KMT2AMGLL
SCHEMBL16700099 0.77 AKR1C3 (0.53) AKR1C3AKR1C1RAB9ANPC1
SCHEMBL11665023 0.77 AKR1C3 (0.74) AKR1C3AKR1C1RAB9ANPC1SLC6A2
SCHEMBL7388336 0.77 AKR1C3 (0.74) AKR1C3AKR1C1RAB9ANPC1SLC6A2

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 7 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-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
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 — — US disclosed
EP-0253501-A2 N-disubstituted cycloalkylmethyl amines useful as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 — — EP 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 AKR1C3 1099/4885AKR1C1 824/4885RAB9A 2923/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 AKR1C3 1154/4885AKR1C1 862/4885RAB9A 2977/4885

“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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