SCHEMBL1398013

SCHEMBL1398013

CC(C)(C)OC(=O)COC[C@H](O)[C@H](O)C=CC=CC#CC=C[C@H](O)COc1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.32
HSP90AB1 P08238 1/20 0.31
CASR P41180 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABCB1 P08183 2/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL1398012 1.00 PTPN1 (0.32) PTPN1HSP90AB1CASRL3MBTL1ABCB1
SCHEMBL13934755 0.90 MAPT (0.35) L3MBTL1
SCHEMBL12717744 0.90 MAPT (0.35) L3MBTL1
SCHEMBL13934756 0.88 ABCB1 (0.34) ABCB1
SCHEMBL4451943 0.86 ABCB1 (0.34) L3MBTL1ABCB1
SCHEMBL4447911 0.86 ABCB1 (0.34) L3MBTL1ABCB1
SCHEMBL1398010 0.86 ABCB1 (0.34) L3MBTL1ABCB1
SCHEMBL4455714 0.86 ABCB1 (0.34) L3MBTL1ABCB1
SCHEMBL1398009 0.86 ABCB1 (0.34) L3MBTL1ABCB1
SCHEMBL4448184 0.86 ABCB1 (0.34) L3MBTL1ABCB1

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-7928255-B2 Intermediates for the preparation of lipoxin A4 analogs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-19 US claimed
US-20070037864-A1 Intermediates for the preparation of lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-15 US claimed
EP-2288414-A1 ANHYDROUS AND HYDRATE FORMS OF CRYSTALLINE 2- ( (2S, 3R, 4E, 6E, 1OE, 12S) -13- (4-FLUOROPHENOXY) -2,3, 12- (TRIHYDROXYTRIDECA-4, 6, 10-TRIEN-8-YNYL) OXY) ACETIC ACID Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-02 EP disclosed
WO-2009140984-A1 ANHYDROUS AND HYDRATE FORMS OF CRYSTALLINE 2- ( (2S, 3R, 4E, 6E, 1OE, 12S) -13- (4-FLUOROPHENOXY) -2,3, 12- (TRIHYDROXYTRIDECA-4, 6, 10-TRIEN-8-YNYL) OXY) ACETIC ACID BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 WO disclosed
US-20090036530-A1 Crystalline acid of lipoxin A4 analogs and method of making BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 US disclosed
US-20080182901-A1 Crystalline acid of lipoxin A4 analogs and method of making BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-31 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 (3 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-20090036530-A1 Crystalline acid of lipoxin A4 analogs and method of making LTA4H, LTB4R2, ALOX5 PTPN1 2705/4885HSP90AB1 1948/4885CASR 2617/4885
US-20070037864-A1 Intermediates for the preparation of lipoxin A4 analogs LTB4R, LTB4R2, LTA4H PTPN1 3444/4885HSP90AB1 4107/4885CASR 2583/4885
US-20080182901-A1 Crystalline acid of lipoxin A4 analogs and method of making LTA4H, LTB4R2, ALOX5 PTPN1 2705/4885HSP90AB1 1948/4885CASR 2617/4885

“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.