SCHEMBL3110076

SCHEMBL3110076

COc1cc(COc2cc[c]cc2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 6/20 0.60
TUBB4A P04350 4/20 0.60
TUBB P07437 4/20 0.60
TUBA3C P0DPH7 4/20 0.60
TUBA1B P68363 4/20 0.60
TUBA4A P68366 4/20 0.60
TUBB4B P68371 4/20 0.60
TUBB3 Q13509 4/20 0.60
TUBB2A Q13885 4/20 0.60
TUBB8 Q3ZCM7 4/20 0.60
TUBA3E Q6PEY2 4/20 0.60
TUBA1A Q71U36 4/20 0.60
TUBA1C Q9BQE3 4/20 0.60
TUBB6 Q9BUF5 4/20 0.60
TUBB2B Q9BVA1 4/20 0.60
ABCB1 P08183 5/20 0.50
PTGS2 P35354 1/20 0.47
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL5537250 0.83 CA2 (0.52) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL542723 0.81 MAOB (0.47) ABCB1
SCHEMBL8558338 0.80 DHFR (0.40) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9863964 0.77 TUBB4A (0.66) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL873803 0.77 TUBB1 (0.40) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7252472 0.75 TUBB4A (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL864988 0.75 APP (0.65)
SCHEMBL6741410 0.75 PARP10 (0.54)
SCHEMBL5535297 0.75 CA12 (0.38) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4600665 0.74 TUBB1 (0.61) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US claimed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US claimed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP claimed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US claimed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO claimed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO 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 (4 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TUBB1 726/4885TUBB4A 1423/4885TUBB 1089/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TUBB1 777/4885TUBB4A 1410/4885TUBB 1169/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TUBB1 593/4885TUBB4A 1168/4885TUBB 919/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B TUBB1 593/4885TUBB4A 1168/4885TUBB 919/4885

“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.