SCHEMBL6155916

SCHEMBL6155916

COc1cc(OCCCC=O)ccc1CO

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.43
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
MAOB P27338 2/20 0.39
CA2 P00918 1/20 0.39
ADRB2 P07550 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ERN1 O75460 1/20 0.37

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
SCHEMBL28296806 0.81 APLNR (0.42) APLNRPDCD1CD274CNR1CNR2
SCHEMBL2016744 0.81 CNR2 (0.46) APLNRPDCD1CD274CNR1CNR2
SCHEMBL30215712 0.80 CD274 (0.46) CD274CNR1CNR2THRATHRB
SCHEMBL29402124 0.80 DHFR (0.48)
SCHEMBL16301494 0.80 PDE3B (0.43) APLNRPDCD1CD274CNR1CNR2
SCHEMBL120379 0.80 DHFR (0.48)
SCHEMBL1552422 0.80 PDCD1 (0.40) APLNRPDCD1CD274CNR1CNR2
SCHEMBL6492912 0.80 APLNR (0.47) APLNRPDCD1CD274ERN1
SCHEMBL426335 0.79 ALDH1A1 (0.63) MAOBALDH1A1ERN1
SCHEMBL1229002 0.79 DHFR (0.53) CNR1CNR2

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 24 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
CN-112584871-A Branched sugar alcohol-based compounds and compositions and methods thereof 希默赛生物技术公司 2021-03-30 CN 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
CN-112584871-A Branched sugar alcohol-based compounds and compositions and methods thereof 希默赛生物技术公司 2021-03-30 CN 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
US-20050047976-A1 Method and apparatus for solid or solution phase reaction under ambient or inert conditions SENOMYX, INC. 2005-03-03 US disclosed
EP-1499893-A2 CHEMICALLY INERT MOLECULAR ALKANE OR OXAALKANE-TAGS AND THEIR IDENTIFICATION BY REACTION WITH FLUOROALKANOYL ACIDS PHARMACOPEIA, INC. (US) 2005-01-26 EP disclosed
US-6310244-B1 DEMONSTRATES THE ABILITY TO WITHSTAND MANY COMMON REACTION CONDITIONS AND YET IS CLEAVABLE UNDER RELATIVELY MILD CONDITIONS. PHARMACOPEIA, INC. 2001-10-30 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 APLNR 316/4885PDCD1 2765/4885CD274 3166/4885
US-20210170037-A1 BRANCHED SUGAR ALCOHOL-BASED COMPOUNDS, AND COMPOSITIONS AND METHODS THEREOF SIGLEC7, CD44, SIGLEC9 APLNR 2040/4885PDCD1 3008/4885CD274 1183/4885
US-11034725-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 APLNR 316/4885PDCD1 2765/4885CD274 3166/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 APLNR 316/4885PDCD1 2765/4885CD274 3166/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 APLNR 316/4885PDCD1 2765/4885CD274 3166/4885
US-20010025084-A1 Photocleavable and acid cleavable linkers for combinatorial chemistry CCNE1, CCNB1, CDK1 APLNR 3178/4885PDCD1 3669/4885CD274 3425/4885

“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.