SCHEMBL459555

SCHEMBL459555

O=CCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
TACR1 P25103 2/20 0.40
P2RX1 P51575 3/20 0.39
PTPN1 P18031 1/20 0.39
GSK3B P49841 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL9903854 0.83 CES2 (0.53) CES2LMNAGAARXRARXRB
SCHEMBL29953080 0.82 CES2 (0.61) CES2LMNAP2RX1
SCHEMBL4974507 0.82 CES2 (0.61) CES2LMNAP2RX1
SCHEMBL28873117 0.81 PTPN1 (0.61) CES2PTPN1GSK3BHDAC8
SCHEMBL23091832 0.79 CES2 (0.64) CES2LMNAGAARXRARXRB
SCHEMBL30989543 0.79 CES2 (0.64) CES2LMNAGAARXRARXRB
SCHEMBL19281439 0.78 CES2 (0.61) CES2LMNAGAARXRARXRB
SCHEMBL630414 0.76 PTPN1 (0.66) CES2LMNAGAARXRARXRB
SCHEMBL5362838 0.76 CES2 (0.59) CES2GAARXRARXRBRXRG
SCHEMBL15244672 0.76 CES2 (0.59) CES2LMNAGAARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409676-A Preparation method for synthesizing chiral beta-hydroxy propanal ethylene glycol with high enantioselectivity 贵州金之键高科技材料股份有限公司 2025-02-11 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-9062085-B2 Biaryl diphosphine ligands, intermediates of the same and their use in asymmetric catalysis KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2015-06-23 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-07-18 US disclosed
EP-2614069-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS Kanata Chemical Technologies Inc. (CA) 2013-07-17 EP disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2012031358-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-15 WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 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-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS AGPS, COASY, BLVRB CES2 1738/4885LMNA 4638/4885GAA 922/4885

“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.