SCHEMBL3087063

SCHEMBL3087063

COc1ccc(Cc2cccc3c[c]oc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
CYP11B1 P15538 6/20 0.43
CYP11B2 P19099 6/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
ATM Q13315 1/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37

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
SCHEMBL3093044 0.84 CYP1A2 (0.33) NPC1RAB9ATP53SLC5A2
SCHEMBL3084063 0.80 SLC6A4 (0.47) SMN1; SMN2CYP2C9MAPTALDH1A1CYP2D6
SCHEMBL3092049 0.80 SLC5A2 (0.33) TP53SLC5A1SLC5A2
SCHEMBL27537260 0.73 LTA4H (0.53) LTA4HCYP11B1CYP11B2TDP1L3MBTL1
SCHEMBL3079894 0.72 LTA4H (0.45) LTA4HCYP11B1CYP11B2NPC1RAB9A
SCHEMBL28251912 0.72 LTA4H (0.72) LTA4HCYP11B1CYP11B2NPC1RAB9A
SCHEMBL3089243 0.71 LTA4H (0.46) LTA4HCYP11B1CYP11B2NPC1RAB9A
SCHEMBL2027109 0.70 LTA4H (0.69) LTA4HCYP11B1CYP11B2NPC1RAB9A
SCHEMBL3086008 0.70 LTA4H (0.42) LTA4HCYP11B1CYP11B2NPC1RAB9A
SCHEMBL315654 0.70 CYP2A6 (0.47) NPC1RAB9ASMN1; SMN2MAOBMAPT

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.