SCHEMBL1552422

SCHEMBL1552422

COc1cc(OCCC[C]=O)ccc1CO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
APLNR P35414 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CA2 P00918 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAOB P27338 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCRTR2 O43614 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
SCHEMBL19579522 0.84 APLNR (0.42) PDCD1CD274APLNRCA2PDE4A
SCHEMBL2016744 0.81 CNR2 (0.46) PDCD1CD274APLNRCNR1CNR2
SCHEMBL28296806 0.81 APLNR (0.42) PDCD1CD274APLNRCNR1CNR2
SCHEMBL30215712 0.80 CD274 (0.46) CD274CNR1CNR2THRATHRB
SCHEMBL6155916 0.80 APLNR (0.43) PDCD1CD274APLNRCNR1CNR2
SCHEMBL120379 0.80 DHFR (0.48)
SCHEMBL29402124 0.80 DHFR (0.48)
SCHEMBL16301494 0.80 PDE3B (0.43) PDCD1CD274APLNRCNR1CNR2
SCHEMBL1229002 0.79 DHFR (0.53) CNR1CNR2
SCHEMBL6318478 0.78 HIF1A (0.46) APLNRMAOB

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210170037-A1 BRANCHED SUGAR ALCOHOL-BASED COMPOUNDS, AND COMPOSITIONS AND METHODS THEREOF CELLMOSAIC INC (US) 2021-06-10 US claimed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US claimed
US-11034725-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2021-06-15 US disclosed
US-20210170037-A1 BRANCHED SUGAR ALCOHOL-BASED COMPOUNDS, AND COMPOSITIONS AND METHODS THEREOF CELLMOSAIC INC (US) 2021-06-10 US disclosed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20200283478-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2020-09-10 US disclosed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US disclosed
WO-2016005960-A1 PROCESS FOR PREPARATION OF LIRAGLUTIDE DR. REDDY'S LABORATORIES LIMITED (IN) 2016-01-14 WO disclosed
US-9040480-B2 Synthesis of glucagon-like peptide LONZA AG (CH) 2015-05-26 US disclosed
US-20130324699-A1 SYNTHESIS OF GLUCAGON-LIKE PEPTIDE LONZA AG (CH) 2013-12-05 US disclosed
US-20010025084-A1 Photocleavable and acid cleavable linkers for combinatorial chemistry PHARMACOPEIA, LLC 2001-09-27 US disclosed
US-6175020-B1 2-(((ALK)OXY OR AMINO)CARBONYLMETHYL),9-((PROTECTED)AMINOMETHYL)-1-AZASPIRO(4.4)NONANE COMPOUNDS, USEFUL AS TEMPLATE FOR CONSTRUCTING SYNTHETIC RECEPTORS AND AS INTERMEDIATES IN THE SYNTHESIS OF ENZYME INHIBITORS PHARMACOPEIA, INC. 2001-01-16 US disclosed
WO-2000047608-A1 PROCESS FOR THE PREPARATION OF CYCLIC TETRAPEPTIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-08-17 WO disclosed
US-6093799-A Universal linker for combinatorial synthesis PHARMACOPEIA, INC. (US) 2000-07-25 US disclosed
WO-2000005197-A1 PHOTOCLEAVABLE AND ACID CLEAVABLE LINKERS FOR COMBINATORIAL CHEMISTRY PHARMACOPEIA, INC. (US) 2000-02-03 WO disclosed
US-6008321-A Universal linker for combinatorial synthesis PHARMACOPEIA, INC. (US) 1999-12-28 US disclosed
WO-1999047498-A1 UNIVERSAL LINKER FOR COMBINATORIAL SYNTHESIS PHARMACOPEIA, INC. (US) 1999-09-23 WO disclosed
WO-1999039207-A1 ACID CLEAVABLE PHENOXYALKYL LINKER FOR COMBINATORIAL SYNTHESIS PHARMACOPEIA, INC. (US) 1999-08-05 WO disclosed
WO-1999004895-A1 COMPOSITIONS FOR THE STORAGE AND DELIVERY OF SOLID PHASE REACTIVE PARTICLES AND METHODS OF USING THE SAME ARGONAUT TECHNOLOGIES, INC. (US) 1999-02-04 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 (7 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-20200283478-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 PDCD1 2765/4885CD274 3166/4885APLNR 316/4885
US-20210170037-A1 BRANCHED SUGAR ALCOHOL-BASED COMPOUNDS, AND COMPOSITIONS AND METHODS THEREOF SIGLEC7, CD44, SIGLEC9 PDCD1 3008/4885CD274 1183/4885APLNR 2040/4885
US-11034725-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 PDCD1 2765/4885CD274 3166/4885APLNR 316/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 PDCD1 2765/4885CD274 3166/4885APLNR 316/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 PDCD1 2765/4885CD274 3166/4885APLNR 316/4885
US-20130324699-A1 SYNTHESIS OF GLUCAGON-LIKE PEPTIDE GLP1R, IAPP, GIPR PDCD1 3796/4885CD274 4790/4885APLNR 551/4885
US-20010025084-A1 Photocleavable and acid cleavable linkers for combinatorial chemistry CCNE1, CCNB1, CDK1 PDCD1 3669/4885CD274 3425/4885APLNR 3178/4885

“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.