SCHEMBL12465600

SCHEMBL12465600

CCC(=O)C(CC(=O)c1ccc2c(c1)N(C(C)=O)CCC2(C)C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.41
RARA P10276 5/20 0.41
RARG P13631 3/20 0.41
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
CRBN Q96SW2 1/20 0.35
NOTUM Q6P988 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 2/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL12465744 0.92 RARB (0.41) RARBRARARARGALDH1A1MAPT
SCHEMBL12465617 0.82 RARB (0.41) RARBRARARARGALDH1A1MAPT
SCHEMBL12465927 0.74 MCHR1 (0.33) ALDH1A1MAPTHPGDKDM4ERECQL
SCHEMBL15388709 0.74 RARB (0.50) RARBRARARARGHPGDCYP26A1
SCHEMBL12465677 0.73 MCHR1 (0.32) NOTUM
SCHEMBL6223570 0.73 RARG (0.40) RARBRARARARGALDH1A1KDM4E
SCHEMBL12465855 0.72 RARB (0.44) RARBRARARARGALDH1A1MAPT
SCHEMBL12465787 0.72 HDAC1 (0.47) RARBRARARARGALDH1A1MAPT
SCHEMBL12466110 0.72 RARB (0.47) RARBRARARARGALDH1A1MAPT
SCHEMBL11988470 0.71 NOTUM (0.51) RARBRARARARGMAPTKDM4E

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-2670744-B1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LTD (IN) 2015-05-27 EP disclosed
EP-2670744-B1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LTD (IN) 2015-05-27 EP disclosed
EP-2670744-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR Lupin Limited (IN) 2013-12-11 EP disclosed
US-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2013-11-21 US disclosed
US-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2013-11-21 US disclosed
WO-2012104782-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2012-08-09 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-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR CHRNA7, CHRNE, CHRNA5 RARB 1245/4885RARA 1083/4885RARG 972/4885

“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.