SCHEMBL3086229

SCHEMBL3086229

CCc1ccc(Cn2[c]cc3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TP53 P04637 1/20 0.38
RAB9A P51151 3/20 0.36
MGLL Q99685 1/20 0.36
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
HTR6 P50406 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.33
GALR3 O60755 2/20 0.33
NR2F2 P24468 2/20 0.33
PPARG P37231 1/20 0.32
TNF P01375 1/20 0.32
EGFR P00533 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL3079067 0.87 P2RX4 (0.44) CYP1A2TP53RAB9ANOD2NOD1
SCHEMBL1201646 0.86 RECQL (0.44) RECQLTNF
SCHEMBL29136188 0.83 RAB9A (0.42) RAB9AKDM4EPOLB
SCHEMBL3079977 0.83 DRD2 (0.41) CYP1A2KDM4EPOLB
SCHEMBL3091129 0.83 P2RX4 (0.48) TP53RAB9AKDM4ENPC1POLB
SCHEMBL3088019 0.83 ALOX5AP (0.42) TP53RAB9AHTR6NPC1POLB
SCHEMBL5497336 0.78 CYP1A2 (0.35) CYP1A2TP53KDM4ENPC1POLB
SCHEMBL1200553 0.75 POLB (0.39) CYP1A2TP53RAB9AKDM4ENPC1
SCHEMBL15271285 0.74 RECQL (0.35) HTR6RECQL
SCHEMBL29136204 0.73 HTT (0.45) RAB9ANPC1POLB

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 3 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
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 CYP1A2 1128/4885CYP2A6 79/4885TP53 4276/4885

“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.