SCHEMBL18525393

SCHEMBL18525393

COc1cc(C)c(-c2cc(C)cc(OC)c2O)cc1-c1cc(C)cc(OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
TNKS2 Q9H2K2 3/20 0.41
ACHE P22303 2/20 0.41
PTGS2 P35354 2/20 0.39
ALOX5 P09917 1/20 0.39
PTPN1 P18031 1/20 0.37
TNKS O95271 1/20 0.36
PIM1 P11309 1/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
MPI P34949 1/20 0.35
RECQL P46063 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL801089 0.88 ERN1 (0.45) ERN1TNKS2ACHEPTGS2ALOX5
SCHEMBL7520392 0.87 ERN1 (0.57) ERN1TNKS2ACHEPTGS2ALOX5
SCHEMBL890444 0.85 ERN1 (0.49) ERN1TNKS2ACHEPTGS2ALOX5
SCHEMBL18523532 0.84 CA2 (0.49) ERN1PTPN1GAAMAPTALDH1A1
SCHEMBL16024748 0.83 ERN1 (0.50) ERN1TNKS2ACHEPTGS2ALOX5
SCHEMBL18535615 0.83 ERN1 (0.44) ERN1TNKS2ACHEPTGS2ALOX5
SCHEMBL18523536 0.82 ERN1 (0.41) ERN1TNKS2ACHEPTGS2ALOX5
SCHEMBL890428 0.81 ALOX5 (0.50) ERN1TNKS2ACHEPTGS2ALOX5
SCHEMBL18527403 0.80 ERN1 (0.41) ERN1TNKS2ACHEPTGS2ALOX5
SCHEMBL890499 0.80 ACHE (0.55) ERN1TNKS2ACHEPTGS2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131623-B2 Process for preparing symmetric pincer ligands from the group of the M-terphenyl compounds EVONIK DEGUSSA GMBH (DE) 2018-11-20 US disclosed
EP-3133054-B1 METHOD FOR THE PREPARATION OF SYMMETRICAL PINCER LIGANDS FROM THE GROUP OF M TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2018-03-07 EP disclosed
US-20170050918-A1 PROCESS FOR PREPARING SYMMETRIC PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-02-23 US disclosed
US-20170050918-A1 PROCESS FOR PREPARING SYMMETRIC PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-02-23 US disclosed
US-20170050918-A1 PROCESS FOR PREPARING SYMMETRIC PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-02-23 US disclosed
EP-3133054-A1 METHOD FOR THE PREPARATION OF SYMMETRICAL PINCER LIGANDS FROM THE GROUP OF M TERPHENYL COMPOUNDS Evonik Degussa GmbH (DE) 2017-02-22 EP disclosed
EP-3133054-A1 METHOD FOR THE PREPARATION OF SYMMETRICAL 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-10131623-B2 Process for preparing symmetric pincer ligands from the group of the M-terphenyl compounds C1R, C3AR1, M6PR ERN1 2752/4885TNKS2 1039/4885ACHE 666/4885
US-20170050918-A1 PROCESS FOR PREPARING SYMMETRIC PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS C1R, M6PR, C3AR1 ERN1 2696/4885TNKS2 958/4885ACHE 641/4885

“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.