SCHEMBL4345964

SCHEMBL4345964

COc1ccc(O)c(C=NCCN=Cc2cc(OC)ccc2O)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.74
▸ ALDH1A1 P00352 2/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ CA1 P00915 6/20 0.64
▸ ERN1 O75460 1/20 0.59
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ MAOB P27338 1/20 0.52
▸ ADORA2A P29274 1/20 0.51
▸ CA12 O43570 3/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ GABRA3 P34903 1/20 0.48
▸ GABRA2 P47869 1/20 0.48
▸ GABRB2 P47870 1/20 0.48

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
SCHEMBL4345961 1.00 CA2 (0.74) CA2ALDH1A1KDM4EKMT2ACA1
SCHEMBL24440799 0.92 CA2 (0.65) CA2ALDH1A1KDM4EKMT2ACA1
SCHEMBL14354169 0.92 CA2 (0.68) CA2ALDH1A1KDM4EKMT2ACA1
SCHEMBL14354170 0.92 CA2 (0.68) CA2ALDH1A1KDM4EKMT2ACA1
SCHEMBL24201091 0.92 CA2 (0.68) CA2ALDH1A1KDM4EKMT2ACA1
SCHEMBL19382909 0.92 CA2 (0.68) CA2ALDH1A1KDM4EKMT2ACA1
Iodide SCHEMBL9768503 0.87 CA2 (0.62) CA2ALDH1A1KDM4EKMT2ACA1
SCHEMBL17743542 0.86 CA2 (0.64) CA2ALDH1A1KDM4EKMT2ACA1
SCHEMBL17743543 0.86 CA2 (0.64) CA2ALDH1A1KDM4EKMT2ACA1
SCHEMBL18719806 0.84 ERN1 (0.65) CA2ALDH1A1KDM4EKMT2ACA1

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-9475762-B2 Process for the preparation of urethanes COVESTRO DEUTSCHLAND AG (DE) 2016-10-25 — — US disclosed
US-20160152559-A1 PROCESS FOR THE PREPARATION OF URETHANES COVESTRO DEUTSCHLAND AG (DE) 2016-06-02 — — US disclosed
US-9284267-B2 Process for the preparation of urethanes BAYER MATERIALSCIENCE AG (DE) 2016-03-15 — — US disclosed
US-20090275771-A1 Process for the preparation of urethanes COVESTRO DEUTSCHLAND AG (DE) 2009-11-05 — — US disclosed
WO-2009095164-A1 METHOD FOR PRODUCING URETHANES BAYER MATERIALSCIENCE AG (DE) 2009-08-06 — — WO disclosed
WO-1997044313-A1 N,N'-Di(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID DERIVATIVES NOVARTIS AG (CH) 1997-11-27 — — WO disclosed
US-5281578-A Pharmaceutical gallium metal complex in mixture with carrier JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1994-01-25 — — 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-20160152559-A1 PROCESS FOR THE PREPARATION OF URETHANES OGG1, SOD1, DUOX2 CA2 545/4885ALDH1A1 1350/4885KDM4E 288/4885
US-20090275771-A1 Process for the preparation of urethanes OGG1, SOD1, DUOX2 CA2 545/4885ALDH1A1 1350/4885KDM4E 288/4885

“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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