SCHEMBL1283318

SCHEMBL1283318

CCN(CC)CCC=O.[KH]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
PAOX Q6QHF9 1/20 0.31

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
SCHEMBL445535 0.97
SCHEMBL1284275 0.94 ALDH1A1 (0.43) ALDH1A1TSHRTDP1MAPK1MEN1
SCHEMBL10017660 0.92 ALDH1A1 (0.45) ALDH1A1TSHRTDP1MAPK1MEN1
SCHEMBL5167080 0.84 ALDH1A1 (0.46) ALDH1A1TSHRTDP1MAPK1HIF1A
SCHEMBL4728852 0.81 TSHR (0.50) ALDH1A1TSHRTDP1MAPK1MEN1
SCHEMBL23775553 0.80 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL29950905 0.80 TSHR (0.50) ALDH1A1TSHRFAAHTRPV1
SCHEMBL23226889 0.80 CYP1A2 (0.45) ALDH1A1TSHRMAPK1HIF1APAOX
SCHEMBL7678665 0.79 TSHR (0.50) ALDH1A1TSHRTDP1MAPK1HIF1A
SCHEMBL29956786 0.79 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1

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 13 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
CN-100525763-C Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2009-08-12 CN 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
CN-1633290-A Mono-and bicyclic pyrrole derivatives inhibiting ligand interaction with higher glycation end product receptors TRANSTECH PHARMA INC (US) 2005-06-29 CN 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 ALDH1A1 3404/4885TSHR 3842/4885TDP1 2371/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3202/4885TSHR 3917/4885TDP1 2323/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3093/4885TSHR 3767/4885TDP1 2548/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B ALDH1A1 3093/4885TSHR 3767/4885TDP1 2548/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3093/4885TSHR 3767/4885TDP1 2548/4885

“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.