SCHEMBL3118906

SCHEMBL3118906

COCCOCCOC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 5/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ABCB11 O95342 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2B P18089 1/20 0.38
OPRD1 P41143 1/20 0.38
SCN5A Q14524 1/20 0.38
CA2 P00918 1/20 0.36
THRB P10828 1/20 0.34
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SERPINE1 P05121 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
EPHX2 P34913 2/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3542372 1.00 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3541326 1.00 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3542623 1.00 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3544390 1.00 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21876977 1.00 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3542475 1.00 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12237539 1.00 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3541651 1.00 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3546710 1.00 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3543712 1.00 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022164-A1 QUINOLONE-3-DIARYLETHERS UNIV OREGON HEALTH & SCIENCE (US) 2017-01-26 US claimed
WO-2017015360-A1 QUINOLONE-3-DIARYLETHERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-26 WO claimed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP claimed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US claimed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 US claimed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US claimed
CN-101160303-A 1- (2H) -isoquinolone derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-04-09 CN claimed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP claimed
EP-4387660-A1 THERMOSTABLE LIPID NANOPARTICLE AND METHODS OF USE THEREOF Merck Sharp & Dohme LLC (US) 2024-06-26 EP disclosed
US-11958864-B2 Tetracyclic heterocycle compounds useful as HIV integrase inhibitors MERCK SHARP & DOHME LLC (US) 2024-04-16 US disclosed
EP-3498712-B1 SPIROCYCLIC INDOLONE POLYETHYLENE GLYCOL CARBONATE COMPOUND, COMPOSITION, PREPARATION METHOD AND USE THEREOF JIANGSU YAYO BIOTECHNOLOGY CO LTD (CN) 2024-01-03 EP disclosed
EP-4294813-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck Sharp & Dohme LLC (US) 2023-12-27 EP disclosed
CN-117083282-A Tetracyclic heterocyclic compounds useful as HIV integrase inhibitors 默沙东有限责任公司 2023-11-17 CN disclosed
US-20230118665-A1 NOVEL THERMOSTABLE LIPID NANOPARTICLE AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-04-20 US disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP disclosed
US-5210322-A Reaction of alcohol with carbonyl forming agent to form carbonate, decarboxylation, catalysis UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-05-11 US disclosed
US-5164497-A Magnesium aluminum oxide, reaction of carbonates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-11-17 US disclosed
US-5104987-A Reacting with alkylene carbonate, using mixed metal oxide catalyst; decarboxylation, decyclization UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-04-14 US disclosed
EP-0479363-A2 Alkoxylation of active hydrogen-containing compounds UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-04-08 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 (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-11958864-B2 Tetracyclic heterocycle compounds useful as HIV integrase inhibitors CDKN1A, TYMP, TYMS TSHR 3580/4885ALDH1A1 312/4885TP53 666/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR TSHR 1237/4885ALDH1A1 2071/4885TP53 4662/4885
US-20170022164-A1 QUINOLONE-3-DIARYLETHERS RECQL, ELANE, ELF3 TSHR 4838/4885ALDH1A1 2150/4885TP53 1929/4885
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 TSHR 4285/4885ALDH1A1 371/4885TP53 18/4885
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 TSHR 3669/4885ALDH1A1 463/4885TP53 45/4885
US-20230118665-A1 NOVEL THERMOSTABLE LIPID NANOPARTICLE AND METHODS OF USE THEREOF TSG101, LIPA, HDLBP TSHR 4147/4885ALDH1A1 1698/4885TP53 26/4885

“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.