SCHEMBL18523536

SCHEMBL18523536

COc1cc(-c2cc(-c3cc(C)cc(OC)c3O)c(OC)cc2OC)c(O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
TNKS2 Q9H2K2 2/20 0.36
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
G6PD P11413 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR6 P51684 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL16024745 0.85 ERN1 (0.46) ERN1TNKS2PTPN1KDM4EALDH1A1
SCHEMBL890444 0.85 ERN1 (0.49) ERN1TNKS2PTPN1KDM4EALDH1A1
SCHEMBL18525393 0.82 ERN1 (0.46) ERN1TNKS2PTPN1KDM4EALDH1A1
SCHEMBL18550567 0.81 MAPT (0.47) ERN1KDM4EALDH1A1MAPTCYP3A4
SCHEMBL18643742 0.80 ERN1 (0.41) ERN1TNKS2PTPN1KDM4EALDH1A1
SCHEMBL7520392 0.80 ERN1 (0.57) ERN1TNKS2PTPN1KDM4EALDH1A1
SCHEMBL18535615 0.80 ERN1 (0.44) ERN1TNKS2PTPN1KDM4EALDH1A1
SCHEMBL16014627 0.79 ACHE (0.48) ERN1TNKS2ALDH1A1MAPTCYP3A4
SCHEMBL18541268 0.78 TNKS2 (0.32) TNKS2KDM4EALDH1A1MAPTCYP3A4
SCHEMBL16024740 0.78 G6PD (0.41) ERN1TNKS2PTPN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131607-B2 Process for preparing unsymmetric OCO pincer ligands from the group of the M-terphenyl compounds EVONIK DEGUSSA GMBH (DE) 2018-11-20 US disclosed
EP-3293189-B1 PHOSPHITES WITH A DIHYDROXYTERPHENYL AND TWO PHENOLS EVONIK DEGUSSA GMBH (DE) 2018-11-14 EP disclosed
EP-3293192-B1 PHOSPHITES WITH A DIHYDROXYTERPHENYL WITH A TETRAPHENYL DIOXAPHOSPHOLANE EVONIK DEGUSSA GMBH (DE) 2018-11-14 EP disclosed
EP-3293189-A1 PHOSPHITES WITH A DIHYDROXYTERPHENYL AND TWO PHENOLS Evonik Degussa GmbH (DE) 2018-03-14 EP disclosed
EP-3293192-A1 PHOSPHITES WITH A DIHYDROXYTERPHENYL WITH A TETRAPHENYL DIOXAPHOSPHOLANE Evonik Degussa GmbH (DE) 2018-03-14 EP disclosed
EP-3293191-A1 PHOSPHITES WITH A DIHYDROXYTERPHENYL Evonik Degussa GmbH (DE) 2018-03-14 EP disclosed
US-20170050910-A1 PROCESS FOR PREPARING UNSYMMETRIC OCO PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-02-23 US disclosed
US-20170050910-A1 PROCESS FOR PREPARING UNSYMMETRIC OCO PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-02-23 US disclosed
US-20170050910-A1 PROCESS FOR PREPARING UNSYMMETRIC OCO PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-02-23 US disclosed
EP-3133189-A1 METHOD FOR THE PREPARATION OF ASYMMETRIC OCO PINCER LIGANDS FROM THE GROUP OF M TERPHENYL COMPOUNDS Evonik Degussa GmbH (DE) 2017-02-22 EP disclosed
EP-3133189-A1 METHOD FOR THE PREPARATION OF ASYMMETRIC OCO PINCER LIGANDS FROM THE GROUP OF M TERPHENYL COMPOUNDS Evonik Degussa GmbH (DE) 2017-02-22 EP 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 (2 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-10131607-B2 Process for preparing unsymmetric OCO pincer ligands from the group of the M-terphenyl compounds COMT, MSMO1, TYR ERN1 4109/4885TNKS2 1049/4885PTPN1 517/4885
US-20170050910-A1 PROCESS FOR PREPARING UNSYMMETRIC OCO PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS COMT, MSMO1, TYR ERN1 4109/4885TNKS2 1049/4885PTPN1 517/4885

“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.