SCHEMBL2967076

SCHEMBL2967076

C=CCOC(=O)c1cc(O)cc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.58
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA7 P43166 4/20 0.58
CA9 Q16790 4/20 0.58
CA14 Q9ULX7 4/20 0.58
CYP3A4 P08684 1/20 0.52
SNCA P37840 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
SERPINE1 P05121 2/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL7139650 0.96 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL254063 0.88 CYP3A4 (0.59) CA12CA1CA2CA7CA9
SCHEMBL39875 0.83 SERPINE1 (0.63) CYP3A4KDM4ESERPINE1
SCHEMBL2787842 0.82 CYP3A4 (0.54) CA12CA1CA2CA9CYP3A4
SCHEMBL26374737 0.81 SNCA (0.49) CA12CA1CA2CA7CA9
SCHEMBL10918370 0.81 CYP3A4 (0.53) CA12CA1CA2CA9CYP3A4
SCHEMBL31182 0.81 SNCA (0.59) CA12CA1CA2CA7CA9
SCHEMBL16246769 0.81 CYP3A4 (0.52) CYP3A4SNCAALDH1A1HSD17B10TSHR
SCHEMBL7196703 0.81 CYP3A4 (0.52) CYP3A4SNCAALDH1A1HSD17B10TSHR
SCHEMBL5094573 0.80 CYP3A4 (0.47) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671001-B2 Alkaline, post plasma etch/ash residue removers and photoresist stripping compositions containing metal-halide corrosion inhibitors MALLINCKRODT BAKER, INC. (US) 2010-03-02 US disclosed
US-7435747-B2 Guanidine and amidine derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-14 US disclosed
US-20070060490-A1 Alkaline, post plasma etch/ash residue removers and photoresist stripping compositions containing metal-halide corrosion inhibitors AVANTOR PERFORMANCE MATERIALS, INC. 2007-03-15 US disclosed
EP-1345900-B1 GUANIDINE AND AMIDINE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-17 EP disclosed
EP-1692572-A2 ALKALINE, POST PLASMA ETCH/ASH RESIDUE REMOVERS AND PHOTORESIST STRIPPING COMPOSITIONS CONTAINING METAL-HALIDE CORROSION INHIBITORS Mallinckrodt Baker, Inc. (US) 2006-08-23 EP disclosed
US-20050143419-A1 Guanidine and amidine derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-30 US disclosed
WO-2005043245-A2 ALKALINE, POST PLASMA ETCH/ASH RESIDUE REMOVERS AND PHOTORESIST STRIPPING COMPOSITIONS CONTAINING METAL-HALIDE CORROSION INHIBITORS MALLINCKRODT BAKER INC. (US) 2005-05-12 WO disclosed
CN-1479722-A Guanidine and amidine derivatives as factor Xa inhibitors ���ĵ�˹ҩ��¹����޹�˾ 2004-03-03 CN disclosed
EP-1345900-A1 GUANIDINE AND AMIDINE DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2003-09-24 EP disclosed
US-20020173656-A1 Guanidine and amidine derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-21 US disclosed
WO-2002046159-A1 GUANIDINE AND AMIDINE DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-13 WO 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-20020173656-A1 Guanidine and amidine derivatives as factor Xa inhibitors F5, F9, F10 CA12 4617/4885CA1 3803/4885CA2 3113/4885
US-20050143419-A1 Guanidine and amidine derivatives as factor Xa inhibitors F5, F10, F12 CA12 4557/4885CA1 3854/4885CA2 3357/4885

“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.