SCHEMBL1200625

SCHEMBL1200625

O=Cc1ccc(OC(=O)Cc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.72
HPGD P15428 4/20 0.59
CYP19A1 P11511 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.49
ASAH1 Q13510 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
PAM P19021 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL538524 0.84 CYP19A1 (0.76) KMT2AHPGDCYP19A1L3MBTL1ASAH1
SCHEMBL28010816 0.82 CYP19A1 (0.73) KMT2AHPGDCYP19A1L3MBTL1ASAH1
SCHEMBL28035668 0.82 CYP19A1 (0.73) KMT2AHPGDCYP19A1L3MBTL1ASAH1
SCHEMBL27882415 0.82 CYP19A1 (0.73) KMT2AHPGDCYP19A1L3MBTL1ASAH1
SCHEMBL11759023 0.82 CYP19A1 (0.73) KMT2AHPGDCYP19A1L3MBTL1ASAH1
SCHEMBL11131614 0.82 CYP19A1 (0.73) KMT2AHPGDCYP19A1L3MBTL1ASAH1
SCHEMBL4205339 0.82 CYP19A1 (0.73) KMT2AHPGDCYP19A1L3MBTL1ASAH1
SCHEMBL8365863 0.82 CYP19A1 (0.73) KMT2AHPGDCYP19A1L3MBTL1ASAH1
SCHEMBL28795788 0.82 CYP19A1 (0.73) KMT2AHPGDCYP19A1L3MBTL1ASAH1
SCHEMBL28071098 0.82 CYP19A1 (0.73) KMT2AHPGDCYP19A1L3MBTL1ASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493905-B1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT CO LLC (PR) 2016-11-30 EP disclosed
US-8822435-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-09-02 US disclosed
US-20140194389-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2014-07-10 US disclosed
US-8710215-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-04-29 US disclosed
EP-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP disclosed
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2013-02-07 US disclosed
US-8314081-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2012-11-20 US disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
EP-2493905-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS Warner Chilcott Company, LLC (PR) 2012-09-05 EP disclosed
WO-2011056589-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT COMPANY, LLC (US) 2011-05-12 WO disclosed
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2011-04-28 US disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 EP disclosed
US-7851659-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US disclosed
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
EP-2154123-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-17 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 (5 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-20140194389-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN KMT2A 4240/4885HPGD 358/4885CYP19A1 630/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN KMT2A 4240/4885HPGD 358/4885CYP19A1 630/4885
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, NQO2, NDUFC2 KMT2A 548/4885HPGD 564/4885CYP19A1 786/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN KMT2A 4240/4885HPGD 358/4885CYP19A1 630/4885
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 KMT2A 1113/4885HPGD 1408/4885CYP19A1 1796/4885

“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.