SCHEMBL3074399

SCHEMBL3074399

Cc1ccc(Cc2[c]oc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
P2RX4 Q99571 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
MAOB P27338 4/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOA P21397 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
SCHEMBL3092337 0.87 TP53 (0.38) NPC1RAB9AALDH1A1MAOBMAPT
SCHEMBL3097229 0.83 VKORC1 (0.48) RAB9AALDH1A1SMN1; SMN2MAPTATM
SCHEMBL3091034 0.83 TNKS (0.38) NPC1RAB9AALDH1A1SMN1; SMN2TNKS
SCHEMBL3084454 0.83 MAOB (0.50) NPC1RAB9AP2RX4SMN1; SMN2MAOB
SCHEMBL10514896 0.71 L3MBTL1 (0.33) ALDH1A1SMN1; SMN2MAOBMAPTMAOA
SCHEMBL5134333 0.68 CA12 (0.34) MAPT
SCHEMBL7969760 0.68 FAAH (0.39) MAPT
SCHEMBL221025 0.68 CYP1A2 (0.36) LMNAALDH1A1SMN1; SMN2MAOBTNKS
SCHEMBL982996 0.68 P2RX4 (0.43) LMNAPOLBALDH1A1P2RX4SMN1; SMN2
SCHEMBL3086790 0.67 MEN1 (0.38) P2RX4SMN1; SMN2MAPT

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 NPC1 2342/4885RAB9A 1447/4885LMNA 2203/4885

“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.