SCHEMBL3079961

SCHEMBL3079961

CC(C)OC(=O)c1ccc(C(=O)OC(C)C)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA7 P43166 5/20 0.55
CA9 Q16790 5/20 0.55
CA14 Q9ULX7 5/20 0.55
NPC1 O15118 4/20 0.53
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
F2 P00734 1/20 0.45
PLAU P00749 1/20 0.45
ELANE P08246 1/20 0.45
RAB9A P51151 3/20 0.45

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
SCHEMBL3079970 0.93 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL10194208 0.88 TSHR (0.58) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL1665898 0.87 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL2119530 0.85 NPC1 (0.55) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL31191713 0.85 CA12 (0.50) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL137907 0.85 NPC1 (0.62) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL28144632 0.83 NPC1 (0.54) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL27919018 0.83 NPC1 (0.54) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL28143597 0.83 NPC1 (0.54) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL27891521 0.83 NPC1 (0.50) KDM4EALDH1A1HPGDHSD17B10CA12

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-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
EP-2048152-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 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 (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-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG REN, WNK1, GCKR KDM4E 2711/4885ALDH1A1 1026/4885HPGD 1722/4885

“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.