SCHEMBL12583263

SCHEMBL12583263

Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.48
NOTUM Q6P988 1/20 0.46
RXRA P19793 5/20 0.46
RXRB P28702 5/20 0.46
RXRG P48443 3/20 0.44
IKBKB O14920 1/20 0.43
CES2 O00748 1/20 0.39
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
XPO1 O14980 2/20 0.37
IDO1 P14902 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL13949153 0.98 NOTUM (0.49) RAPGEF4NOTUMRXRARXRBRXRG
SCHEMBL12583213 0.95 NOTUM (0.50) RAPGEF4NOTUMRXRARXRBRXRG
SCHEMBL26375464 0.95 NOTUM (0.50) RAPGEF4NOTUMRXRARXRBRXRG
SCHEMBL15497368 0.88 RXRA (0.46) RAPGEF4NOTUMRXRARXRBRXRG
SCHEMBL13866628 0.87 RXRA (0.52) RAPGEF4RXRARXRBRXRGIKBKB
SCHEMBL24211025 0.86 RXRA (0.50) RAPGEF4NOTUMRXRARXRBRXRG
SCHEMBL24211077 0.86 RXRA (0.50) RAPGEF4NOTUMRXRARXRBRXRG
SCHEMBL29319679 0.85 ALDH1A1 (0.46) RAPGEF4NOTUMRXRARXRBRXRG
SCHEMBL26821716 0.84 RXRA (0.47) RAPGEF4NOTUMRXRARXRBRXRG
SCHEMBL15704675 0.84 RXRA (0.39) RAPGEF4NOTUMRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
EP-1712549-B1 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) 2018-04-11 EP disclosed
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 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-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-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 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 (5 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 RAPGEF4 4653/4885NOTUM 842/4885RXRA 4512/4885
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF AADAT, BCAT2, BCAT1 RAPGEF4 3529/4885NOTUM 2636/4885RXRA 4794/4885
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 RAPGEF4 4605/4885NOTUM 877/4885RXRA 4273/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 RAPGEF4 2769/4885NOTUM 2913/4885RXRA 3881/4885
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 RAPGEF4 4653/4885NOTUM 842/4885RXRA 4512/4885

“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.