SCHEMBL6532326

SCHEMBL6532326

CCCCCOC(=O)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.56
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ESR1 P03372 6/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 3/20 0.50
CCNB2 O95067 3/20 0.50
CDK1 P06493 3/20 0.50
CCNB1 P14635 3/20 0.50
MDH2 P40926 3/20 0.50
CCNB3 Q8WWL7 3/20 0.50
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
AKR1C4 P17516 1/20 0.50

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
SCHEMBL6767714 0.90 ALDH1A1 (0.53) ALDH1A1MAPTNPC1ESR1LMNA
SCHEMBL12658629 0.88 SIRT2 (0.55) ALDH1A1MAPTNPC1RAB9AESR1
SCHEMBL5333661 0.84 ALDH1A1 (0.66) ALDH1A1MAPTNPC1RAB9AESR1
SCHEMBL5960040 0.82 ALDH1A1 (0.44) ALDH1A1MAPTNPC1ESR1LMNA
SCHEMBL1994995 0.78 ALDH1A1 (0.80) ALDH1A1MAPTNPC1RAB9AESR1
SCHEMBL12658800 0.78 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL30316301 0.77 NPC1 (0.64) ALDH1A1MAPTNPC1RAB9AESR1
SCHEMBL9458998 0.77 NPC1 (0.64) ALDH1A1MAPTNPC1RAB9AESR1
SCHEMBL197446 0.77 ALDH1A1 (0.83) ALDH1A1MAPTNPC1RAB9AESR1
SCHEMBL10591672 0.77 ALDH1A1 (0.83) ALDH1A1MAPTNPC1RAB9AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2319838-A1 Therapeutic Molecules and Methods-1 Cortical Pty Ltd (AU) 2011-05-11 EP disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
WO-2005058304-A1 IMPLANTABLE DEVICE CONTAINING INHIBITOR OF MACROPHAGE MIGRATION INHIBITORY FACTOR CORTICAL PTY LTD (AU) 2005-06-30 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 (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-20100323999-A1 Therapeutic Molecules and Methods-1 MIF, IL1B, IL1A GPR84 1444/4885ALDH1A1 329/4885MAPT 4136/4885

“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.