SCHEMBL12465690

SCHEMBL12465690

COC(=O)C1(Oc2ccccc2OCc2ccc(OC)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RXRA P19793 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
ATM Q13315 1/20 0.47
ABCB1 P08183 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
PTGER1 P34995 1/20 0.45
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMPD1 P17405 1/20 0.43
APP P05067 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
SCHEMBL12466000 0.78 ABCB1 (0.49) ALDH1A1MAPTKDM4ERXRAHTR1A
SCHEMBL16018989 0.78 ABCB1 (0.68) RXRAHTR1AADRA1DADRA1AADRA1B
SCHEMBL32675245 0.77 MAOB (0.47) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30900044 0.77 USP2 (0.50) ALDH1A1RAB9APTGER1SMPD1
SCHEMBL197952 0.73 MEN1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15397098 0.72 ADAM17 (0.40) ALDH1A1MAPTKDM4EATMHTT
SCHEMBL26123722 0.72 KMT2A (0.38) ALDH1A1KDM4ENPC1RAB9AHTT
SCHEMBL4938231 0.72 SMN1; SMN2 (0.57) ALDH1A1MAPTKDM4ERXRAATM
SCHEMBL31658724 0.72 SMN1; SMN2 (0.57) ALDH1A1MAPTKDM4ERXRAATM
SCHEMBL1388037 0.72 RXRA (0.60) ALDH1A1MAPTKDM4ERXRAATM

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 5 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
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 ALDH1A1 2246/4885MAPT 575/4885KDM4E 2300/4885

“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.