SCHEMBL3089243

SCHEMBL3089243

COc1ccc(Cc2cccc3ccc[c]c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
CYP11B1 P15538 5/20 0.42
CYP11B2 P19099 5/20 0.42
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
ATM Q13315 1/20 0.39
MAOB P27338 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 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
SCHEMBL3087658 0.83 CYP1A2 (0.35) TP53
SCHEMBL2357024 0.80 LTA4H (0.50) LTA4HCYP11B1CYP11B2TP53MAPT
SCHEMBL3097520 0.79 SLC6A4 (0.49) MAPTSMN1; SMN2ALDH1A1CYP2D6ATM
SCHEMBL3074353 0.79 SLC5A2 (0.34) CYP2D6
SCHEMBL3079805 0.78 LTA4H (0.45) LTA4HCYP11B1CYP11B2MAPTTDP1
SCHEMBL28251912 0.74 LTA4H (0.72) LTA4HCYP11B1CYP11B2TP53MAPT
SCHEMBL2027109 0.73 LTA4H (0.69) LTA4HCYP11B1CYP11B2TP53MAPT
SCHEMBL11161608 0.72 MAPT (0.44) LTA4HCYP11B1CYP11B2MAPTNPC1
SCHEMBL27537260 0.72 LTA4H (0.53) LTA4HCYP11B1CYP11B2TDP1L3MBTL1
SCHEMBL3079894 0.72 LTA4H (0.45) LTA4HCYP11B1CYP11B2TP53MAPT

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 LTA4H 2233/4885CYP11B1 237/4885CYP11B2 346/4885

“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.