SCHEMBL12465636

SCHEMBL12465636

CC(C)(O)CCOc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 4/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 6/20 0.48
TTR P02766 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
RECQL P46063 1/20 0.43
CYP3A4 P08684 1/20 0.43
SSTR4 P31391 1/20 0.42
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL15791367 0.83 VDR (0.39) L3MBTL1TDP1KMT2ARAB9A
SCHEMBL12569627 0.80 VDR (0.48) L3MBTL1TDP1KMT2ARAB9AKDM4E
SCHEMBL7805819 0.80 LMNA (0.54) L3MBTL1TDP1RAB9AALDH1A1CYP1A2
SCHEMBL10202960 0.80 L3MBTL1 (0.61) L3MBTL1TDP1KMT2ARAB9AKDM4E
SCHEMBL7144356 0.79 ALDH1A1 (0.55) TDP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL1438808 0.79 IDO1 (0.42) L3MBTL1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL20911814 0.78 AAK1 (0.46) L3MBTL1RAB9AKDM4EALDH1A1MAPK1
SCHEMBL15108893 0.77 L3MBTL1 (0.59) L3MBTL1KMT2AKDM4EMEN1SSTR4
SCHEMBL28697935 0.77 VDR (0.38) L3MBTL1TDP1KMT2ARAB9A
SCHEMBL12546070 0.76 LMNA (0.51) L3MBTL1TDP1KMT2AALDH1A1MEN1

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 1728/4885KMT2A 4408/4885

“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.