SCHEMBL3086761

SCHEMBL3086761

CCc1ccc(Cc2cc[c]c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
KIF11 P52732 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3087655 0.89 TLR8 (0.33) TP53SLC5A1SLC5A2
SCHEMBL3091779 0.87 P2RX4 (0.37) TP53NPC1RAB9A
SCHEMBL27771988 0.85 LOXL2 (0.39) HTR6
SCHEMBL3090873 0.83 SLC5A2 (0.34) KIF11SLC5A1SLC5A2HTR6NPC1
SCHEMBL3087817 0.83 LTA4H (0.50) NPC1RAB9A
SCHEMBL3080402 0.83 SLC6A4 (0.49) TP53SLC5A1SLC5A2CYP1A2KDM4E
SCHEMBL663537 0.82 GABRA1 (0.32) TP53CYP1A2
SCHEMBL3092710 0.75 KCNH2 (0.34) SLC5A2CYP1A2CYP2A6NPC1RAB9A
SCHEMBL27838122 0.75 CYP2C19 (0.49) CYP1A2CYP2A6
SCHEMBL1368599 0.75 KDM4E (0.36) KDM4ERAB9A

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-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
CN-101495494-A Fused ring spiroketal derivative and use thereof as therapeutic agent for diabetes CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-07-29 CN 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 TP53 4276/4885KIF11 3252/4885SLC5A1 16/4885

“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.