SCHEMBL3546710

SCHEMBL3546710

COCCOCCOCCOC(=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
SCHEMBL3118906 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
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
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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US claimed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP claimed
EP-4364727-A2 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF Teon Therapeutics, Inc. (US) 2024-05-08 EP disclosed
US-20240041889-A1 COMBINATION THERAPY WITH ADENOSINE RECEPTOR ANTAGONISTS TEON THERAPEUTICS INC (US) 2024-02-08 US disclosed
EP-3762386-B1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS INC (US) 2024-01-24 EP 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
US-20220056033-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. 2022-02-24 US disclosed
US-11124515-B2 Adenosine receptor antagonists and uses thereof TEON THERAPEUTICS, INC. (US) 2021-09-21 US disclosed
US-11111214-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2021-09-07 US disclosed
US-11053205-B2 Phenazine derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-07-06 US disclosed
EP-1744394-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-17 EP disclosed
EP-1339686-A2 CYANOGUANIDINE PRODRUGS Leo Pharma A/S (DK) 2003-09-03 EP disclosed
US-6525077-B2 Antiproliferative agents LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-02-25 US disclosed
US-20020165201-A1 Cyanoguanidine prodrugs LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-11-07 US disclosed
WO-2002042276-A1 QUARTERNARY PROFORMS OF TERTIARY AMINE CONTAINING COMPOUNDS LEO PHARMA A/S (DK) 2002-05-30 WO disclosed
WO-2002042265-A2 CYANOGUANIDINE PRODRUGS LEO PHARMA A/S (DK) 2002-05-30 WO disclosed
US-5387354-A Polyalkylene glycol polycarbonate based lubricant oil composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-02-07 US disclosed
US-5350839-A Esters to improve taste and remove bitterness TAISHO PHARMACEUTICAL CO., LTD. (JP) 1994-09-27 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 (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-20020165201-A1 Cyanoguanidine prodrugs CBR1, SIGMAR1, ROR1 TSHR 134/4885ALDH1A1 1071/4885TP53 2757/4885
US-20220056033-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF ADORA2A, ADORA2B, ADORA3 TSHR 209/4885ALDH1A1 817/4885TP53 3948/4885
US-20240041889-A1 COMBINATION THERAPY WITH ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 TSHR 343/4885ALDH1A1 667/4885TP53 140/4885
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 TSHR 4285/4885ALDH1A1 371/4885TP53 18/4885
US-11111214-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRM1 TSHR 1145/4885ALDH1A1 782/4885TP53 4872/4885
US-11053205-B2 Phenazine derivatives as antimicrobial agents ROS1, NOX4, PRDX3 TSHR 1451/4885ALDH1A1 701/4885TP53 2115/4885
US-11124515-B2 Adenosine receptor antagonists and uses thereof ADORA2B, ADORA2A, ADORA3 TSHR 218/4885ALDH1A1 634/4885TP53 4237/4885

“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.