SCHEMBL3093044

SCHEMBL3093044

CCc1ccc(Cc2cccc3c[c]oc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
SLC5A2 P31639 3/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TP53 P04637 1/20 0.31
CXCR4 P61073 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3092049 0.84 SLC5A2 (0.33) SLC5A2TP53
SCHEMBL3084063 0.84 SLC6A4 (0.47) CYP1A2SLC5A2MEN1KMT2A
SCHEMBL5544202 0.83 GABRA1 (0.43) GABRA1GABRB2
SCHEMBL19610466 0.77 MTNR1A (0.35) GABRA1GABRB2
SCHEMBL9371792 0.73 CYP1A2 (0.31) CYP1A2GABRA1GABRB2
SCHEMBL3087088 0.70 CYP1A2 (0.34) CYP1A2CYP2A6SLC5A2TP53CXCR4
SCHEMBL27838122 0.69 CYP2C19 (0.49) CYP1A2CYP2A6
SCHEMBL3092572 0.69 TP53 (0.33) SLC5A2GABRA1GABRB2TP53RAB9A
SCHEMBL3087658 0.68 CYP1A2 (0.35) CYP1A2CYP2A6SLC5A2GABRA1GABRB2
SCHEMBL3090078 0.68 CYP1A2 (0.33) CYP1A2CYP2A6SLC5A2TP53CXCR4

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 79/4885SLC5A2 19/4885

“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.