SCHEMBL3399484

SCHEMBL3399484

CC(=O)C1Oc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
CASP6 P55212 1/20 0.45
MTNR1A P48039 1/20 0.42
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
GLS O94925 2/20 0.38
ATM Q13315 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
P2RX4 Q99571 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL1855023 0.86 POLB (0.39) POLBCASP6MTNR1AHTTLMNA
SCHEMBL442707 0.81 ATM (0.50) POLBCASP6MTNR1ALMNAGLS
SCHEMBL1291712 0.78 HTT (0.36) POLBCASP6MTNR1AHTTLMNA
SCHEMBL2547829 0.78 POLB (0.69) POLBCASP6HTTLMNASMN1; SMN2
SCHEMBL29606554 0.78 POLB (0.69) POLBCASP6HTTLMNASMN1; SMN2
SCHEMBL1291733 0.77 PTGS2 (0.42) POLBCASP6LMNAGAAALDH1A1
SCHEMBL440743 0.76 ALDH1A1 (0.42) POLBCASP6MTNR1AHTTGAA
SCHEMBL1291711 0.76 AHR (0.42) POLBCASP6HTTLMNAALDH1A1
Formaldehyde SCHEMBL27560205 0.74 POLB (0.64) POLBCASP6HTTLMNASMN1; SMN2
SCHEMBL31349184 0.73 POLB (0.36) POLBCASP6MTNR1AHTTLMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206704-A1 Pharmaceutically active diazepanes Novartis AG (CH) 2010-07-14 EP claimed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 US claimed
EP-1874739-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES Novartis AG (CH) 2008-01-09 EP claimed
WO-2006111371-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2006-10-26 WO claimed
EP-2206704-A1 Pharmaceutically active diazepanes Novartis AG (CH) 2010-07-14 EP disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 US disclosed
US-7351735-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 US disclosed
EP-1874739-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006111371-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2006-10-26 WO disclosed
US-20050139814-A1 Benzofuran and benzothiophene derivatives useful in the treatmint of hyper-proliferative disorders BAYER HEALTHCARE LLC 2005-06-30 US 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-20080300237-A1 Pharmaceutically Active Diazepanes VCAM1, ICAM1, CD69 POLB 4451/4885CASP6 2070/4885MTNR1A 1059/4885

“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.