SCHEMBL18523532

SCHEMBL18523532

COc1cc(-c2cc(-c3cc(C)cc(OC)c3O)c(OC)cc2C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TYR P14679 1/20 0.38
PTPN1 P18031 2/20 0.36
GAA P10253 2/20 0.35
ERN1 O75460 1/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ELANE P08246 2/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
G6PD P11413 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL18523535 0.94 CA2 (0.53) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL18541392 0.88 CA2 (0.47) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL18525393 0.84 ERN1 (0.46) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL17293919 0.83 CA2 (0.56) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL16024770 0.82 CA2 (0.57) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL16996689 0.82 CA2 (0.67) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL9056140 0.78 CA2 (0.56) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL240515 0.78 CA2 (0.80) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL29602570 0.78 CA2 (0.80) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL16014947 0.77 CA2 (0.46) CA2CA1ALDH1A1POLBSMN1; SMN2

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 CA2 1001/4885CA1 2238/4885ALDH1A1 3779/4885
US-20170050910-A1 PROCESS FOR PREPARING UNSYMMETRIC OCO PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS COMT, MSMO1, TYR CA2 1001/4885CA1 2238/4885ALDH1A1 3779/4885

“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.