SCHEMBL12465718

SCHEMBL12465718

COC(=O)CCOc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 3/20 0.52
LMNA P02545 4/20 0.50
RAB9A P51151 4/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL14314439 0.92 L3MBTL1 (0.58) L3MBTL1TDP1KDM4ELMNARAB9A
SCHEMBL27933805 0.84 L3MBTL1 (0.57) L3MBTL1TDP1KDM4ERAB9AKMT2A
SCHEMBL5107176 0.83 HPGD (0.56) L3MBTL1TDP1LMNARAB9AKMT2A
SCHEMBL13332620 0.83 KDM4E (0.55) L3MBTL1TDP1KDM4ELMNARAB9A
SCHEMBL11585022 0.81 ALDH1A1 (0.59) L3MBTL1TDP1KDM4ELMNARAB9A
SCHEMBL1264964 0.81 LMNA (0.64) L3MBTL1TDP1KDM4ELMNARAB9A
SCHEMBL11196941 0.80 KMT2A (0.59) L3MBTL1TDP1LMNARAB9AKMT2A
SCHEMBL28938376 0.79 LMNA (0.62) L3MBTL1TDP1KDM4ELMNARAB9A
SCHEMBL7925431 0.79 L3MBTL1 (0.54) L3MBTL1TDP1KDM4ELMNARAB9A
SCHEMBL29473477 0.79 LMNA (0.62) L3MBTL1TDP1KDM4ELMNARAB9A

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 L3MBTL1 4708/4885TDP1 1728/4885KDM4E 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.