SCHEMBL18523530

SCHEMBL18523530

COc1cc(C)ccc1-c1cc(C)cc(OC)c1O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.50
▸ ERN1 O75460 2/20 0.47
▸ TNKS2 Q9H2K2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ SMPD3 Q9NY59 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL16015010 0.91 ACHE (0.48) ACHEERN1TNKS2ALDH1A1CYP3A4
SCHEMBL890499 0.89 ACHE (0.55) ACHEERN1TNKS2ALDH1A1CYP3A4
SCHEMBL7520392 0.88 ERN1 (0.57) ACHEERN1TNKS2ALDH1A1ALOX5
SCHEMBL18523538 0.88 ERN1 (0.51) ERN1ALDH1A1CYP3A4KDM4EGAA
SCHEMBL16014627 0.87 ACHE (0.48) ACHEERN1TNKS2ALDH1A1CYP3A4
SCHEMBL9938324 0.84 ACHE (0.68) ACHEALDH1A1CYP3A4MEN1MAPT
SCHEMBL890444 0.83 ERN1 (0.49) ACHEERN1TNKS2ALDH1A1CYP3A4
SCHEMBL11950304 0.82 ACHE (0.56) ACHEALDH1A1CYP3A4ESR1ESR2
SCHEMBL16024748 0.81 ERN1 (0.50) ACHEERN1TNKS2ALDH1A1ALOX5
SCHEMBL16015052 0.81 ESR2 (0.47) ACHEERN1TNKS2ALOX5PTGS2

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 6 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
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 ACHE 773/4885ERN1 4109/4885TNKS2 1049/4885
US-20170050910-A1 PROCESS FOR PREPARING UNSYMMETRIC OCO PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS COMT, MSMO1, TYR ACHE 773/4885ERN1 4109/4885TNKS2 1049/4885

“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.

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