SCHEMBL1283683

SCHEMBL1283683

CCCCC(=O)c1ccc(OCCCN(CC)CC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.69
THRA P10827 3/20 0.69
L3MBTL1 Q9Y468 1/20 0.66
MMP1 P03956 1/20 0.58
HRH3 Q9Y5N1 4/20 0.57
NPC1 O15118 1/20 0.56
HRH2 P25021 3/20 0.55
HRH1 P35367 3/20 0.55
ACHE P22303 3/20 0.55
BCHE P06276 2/20 0.55
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL1283830 0.96 THRA (0.71) THRBTHRAL3MBTL1MMP1HRH3
SCHEMBL1283638 0.93 THRA (0.67) THRBTHRAL3MBTL1MMP1HRH3
SCHEMBL11224024 0.91 THRA (0.77) THRBTHRAL3MBTL1MMP1HRH3
SCHEMBL492102 0.87 HRH3 (0.61) THRBTHRAL3MBTL1HRH3ACHE
SCHEMBL2507583 0.86 THRA (0.55) THRBTHRAHRH3ACHEBCHE
SCHEMBL864569 0.85 EBP (0.63) THRBTHRAL3MBTL1MMP1HRH3
SCHEMBL1283063 0.85 HRH3 (0.60) THRBTHRAL3MBTL1HRH3ACHE
SCHEMBL11440823 0.83 L3MBTL1 (0.76) THRBTHRAL3MBTL1MMP1NPC1
SCHEMBL2449792 0.82 THRB (0.68) THRBTHRAL3MBTL1MMP1HRH3
SCHEMBL491797 0.82 L3MBTL1 (0.69) L3MBTL1HRH3ACHEBCHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed
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 (5 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 THRB 4023/4885THRA 4158/4885L3MBTL1 4864/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B THRB 4187/4885THRA 4118/4885L3MBTL1 4864/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B THRB 3758/4885THRA 3923/4885L3MBTL1 4861/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B THRB 3758/4885THRA 3923/4885L3MBTL1 4861/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B THRB 3758/4885THRA 3923/4885L3MBTL1 4861/4885

“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.