SCHEMBL20699280

SCHEMBL20699280

O=COC12CC3CC(C1)CC(OC=O)(C3)C2

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 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
SCHEMBL29159470 0.86 KMT2A (0.32) NPSR1
SCHEMBL17755915 0.86 THRB (0.39) NPSR1
SCHEMBL25738316 0.86 PKM (0.42) NPSR1
SCHEMBL4879986 0.86 PKM (0.42) NPSR1
SCHEMBL8864 0.85 NPSR1 (0.43) NPSR1
SCHEMBL28347198 0.83 NPSR1 (0.41) NPSR1
SCHEMBL28478184 0.83 NPSR1 (0.41) NPSR1
SCHEMBL29104085 0.83 NPSR1 (0.41) NPSR1
SCHEMBL28760555 0.83 NPSR1 (0.41) NPSR1
SCHEMBL14670207 0.81 PKM (0.44) NPSR1

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
CN-110997612-B Iron catalyzed cross-coupling of methanol with secondary or tertiary alcohols to produce formate esters 伊士曼化工公司 2023-10-24 CN disclosed
EP-3661906-A1 IRON-CATALYZED CROSS-COUPLING OF METHHANOL WITH SECONDARY OR TERTIARY ALCOHOLS TO PRODUCE FORMATE ESTERS Eastman Chemical Company (US) 2020-06-10 EP disclosed
CN-110997612-A Iron-catalyzed cross-coupling of methanol with secondary or tertiary alcohols to produce formates 伊士曼化工公司 2020-04-10 CN disclosed
US-10435349-B2 Iron-catalyzed cross-coupling of methanol with secondary or tertiary alcohols to produce formate esters EASTMAN CHEMICAL COMPANY (US) 2019-10-08 US disclosed
WO-2019027962-A1 IRON-CATALYZED CROSS-COUPLING OF METHHANOL WITH SECONDARY OR TERTIARY ALCOHOLS TO PRODUCE FORMATE ESTERS EASTMAN CHEMICAL COMPANY (US) 2019-02-07 WO disclosed
US-20190039992-A1 IRON-CATALYZED CROSS-COUPLING OF METHANOL WITH SECONDARY OR TERTIARY ALCOHOLS TO PRODUCE FORMATE ESTERS EASTMAN CHEMICAL COMPANY (US) 2019-02-07 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 (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-10435349-B2 Iron-catalyzed cross-coupling of methanol with secondary or tertiary alcohols to produce formate esters FTH1, FOS, ADH1A NPSR1 3126/4885
US-20190039992-A1 IRON-CATALYZED CROSS-COUPLING OF METHANOL WITH SECONDARY OR TERTIARY ALCOHOLS TO PRODUCE FORMATE ESTERS FTH1, FOS, ADH1A NPSR1 3126/4885

“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.