SCHEMBL12583259

SCHEMBL12583259

Cc1c(-c2ccccc2F)cc2ccccc2c1-c1c(C)c(-c2ccccc2F)cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 0.42
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CES1 P23141 1/20 0.38
CYP1A2 P05177 4/20 0.37
CYP2A6 P11509 1/20 0.37
CYP1A1 P04798 3/20 0.37
CYP1B1 Q16678 3/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL12583243 0.85 GPR84 (0.40) HPGDALDH1A1L3MBTL1CYP1A2CYP2A6
SCHEMBL14327778 0.83 CYP1A2 (0.35) MBNL1HPGDALDH1A1TSHRMAPK1
SCHEMBL20036831 0.80 MBNL1 (0.30) MBNL1
SCHEMBL19426806 0.79 CES1 (0.47) MBNL1HPGDALDH1A1TSHRMAPK1
SCHEMBL29104509 0.79 ALDH1A1 (0.50) MBNL1HPGDALDH1A1TSHRMAPK1
SCHEMBL12583233 0.77 GPR84 (0.41) HPGDALDH1A1TSHRMAPK1CASP1
SCHEMBL12642230 0.77 GCGR (0.49) MBNL1NPC1ADORA2AADORA1
SCHEMBL12583347 0.76 NPC1 (0.40) MBNL1HPGDALDH1A1TSHRMAPK1
SCHEMBL31275918 0.76 GPR84 (0.51) HPGDALDH1A1RAB9ACYP1A2CYP2A6
SCHEMBL19077619 0.76 MBNL1 (0.35) MBNL1NPC1CA12CA9CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716524-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing a-amino acid and derivative thereof with the same NAGASE & CO., LTD (JP) 2014-05-06 US disclosed
US-8716524-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing a-amino acid and derivative thereof with the same NAGASE & CO., LTD (JP) 2014-05-06 US disclosed
US-20110152562-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING a-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2011-06-23 US disclosed
US-20110152562-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING a-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2011-06-23 US disclosed
US-7928224-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing α-amino acid and derivative thereof with the same NAGASE & CO., LTD (JP) 2011-04-19 US disclosed
US-7928224-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing α-amino acid and derivative thereof with the same NAGASE & CO., LTD (JP) 2011-04-19 US disclosed
US-20070161624-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same KISHIDA CHEMICAL CO., LTD. (JP) 2007-07-12 US disclosed
US-20070161624-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same KISHIDA CHEMICAL CO., LTD. (JP) 2007-07-12 US disclosed
US-20070135654-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING alpha-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD (JP) 2007-06-14 US disclosed
US-20070135654-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING alpha-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD (JP) 2007-06-14 US 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 (3 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-20070135654-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING alpha-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT MBNL1 817/4885HPGD 4302/4885ALDH1A1 2073/4885
US-20110152562-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING a-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, AADAT, BCAT2 MBNL1 702/4885HPGD 4568/4885ALDH1A1 1927/4885
US-20070161624-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same BCAT1, BCAT2, AADAT MBNL1 817/4885HPGD 4302/4885ALDH1A1 2073/4885

“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.