SCHEMBL9561561

SCHEMBL9561561

COC(=O)COC(=O)c1ccnc(C(=O)OCC(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
KDM6B O15054 2/20 0.44
KDM5C P41229 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
KDM3A Q9Y4C1 2/20 0.44
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
TET3 O43151 1/20 0.41
KDM4A O75164 1/20 0.41
BBOX1 O75936 1/20 0.41
KDM5A P29375 1/20 0.41
ASPH Q12797 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
TET2 Q6N021 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41

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
SCHEMBL930636 0.81 JMJD6 (0.57) KDM5CKDM4CSMN1; SMN2KDM5AKDM5B
SCHEMBL29466587 0.81 JMJD6 (0.57) KDM5CKDM4CSMN1; SMN2KDM5AKDM5B
SCHEMBL9561789 0.80 TSHR (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30065796 0.79 KDM4E (0.62) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL70350 0.79 KDM4E (0.62) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL8406007 0.78 JMJD6 (0.59) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL27684580 0.78 ALDH1A1 (0.60) KDM4EALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL9345745 0.77 JMJD6 (0.44) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1977297 0.77 JMJD6 (0.44) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL12035659 0.76 TSHR (0.55) TSHRALDH1A1SMN1; SMN2MAPT

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-11045407-B2 Process for treating keratin fibres with a pyridinedicarboxylic acid compound L'OREAL (FR) 2021-06-29 US disclosed
US-10857087-B2 Process for treating keratin fibres with a polysaccharide and a pyridinedi-carboxylic acid compound L'OREAL (FR) 2020-12-08 US disclosed
WO-2016142635-A1 METHOD FOR THE COSMETIC TREATMENT OF THICK HAIR WITH A PYRIDINE DICARBOXYLIC ACID COMPOUND L'OREAL (FR) 2016-09-15 WO disclosed
US-20160228346-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A POLYSACCHARIDE AND A PYRIDINEDI-CARBOXYLIC ACID COMPOUND L'OREAL (FR) 2016-08-11 US disclosed
US-20160228346-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A POLYSACCHARIDE AND A PYRIDINEDI-CARBOXYLIC ACID COMPOUND L'OREAL (FR) 2016-08-11 US disclosed
US-20160213587-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A PYRIDINEDICARBOXYLIC ACID COMPOUND L'OREAL (FR) 2016-07-28 US disclosed
US-20160213587-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A PYRIDINEDICARBOXYLIC ACID COMPOUND L'OREAL (FR) 2016-07-28 US disclosed
WO-2015036477-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A PYRIDINEDICARBOXYLIC ACID COMPOUND L'OREAL (FR) 2015-03-19 WO disclosed
WO-2015036476-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A POLYSACCHARIDE AND A PYRIDINEDI-CARBOXYLIC ACID COMPOUND L'OREAL (FR) 2015-03-19 WO disclosed
US-5260323-A 2,4- and 2,5-substituted pyridine-N-oxides, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-09 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 (4 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-11045407-B2 Process for treating keratin fibres with a pyridinedicarboxylic acid compound KRT18, CUTA, HKDC1 KDM4E 45/4885KDM6B 54/4885KDM5C 15/4885
US-20160228346-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A POLYSACCHARIDE AND A PYRIDINEDI-CARBOXYLIC ACID COMPOUND KRT18, HKDC1, PHYKPL KDM4E 215/4885KDM6B 109/4885KDM5C 6/4885
US-20160213587-A1 PROCESS FOR TREATING KERATIN FIBRES WITH A PYRIDINEDICARBOXYLIC ACID COMPOUND KRT18, CUTA, HKDC1 KDM4E 45/4885KDM6B 54/4885KDM5C 15/4885
US-10857087-B2 Process for treating keratin fibres with a polysaccharide and a pyridinedi-carboxylic acid compound KRT18, HKDC1, PHYKPL KDM4E 215/4885KDM6B 109/4885KDM5C 6/4885

“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.