SCHEMBL435444

SCHEMBL435444

CCOC(=O)COc1ccc(OC)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.68
NPSR1 Q6W5P4 1/20 0.68
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 5/20 0.56
HPGD P15428 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 3/20 0.55
TP53 P04637 1/20 0.55
PTPN1 P18031 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 2/20 0.54
APEX1 P27695 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL9268449 0.95 GAA (0.62) GAANPSR1LMNASMN1; SMN2MAPT
SCHEMBL11815554 0.89 GAA (0.72) GAANPSR1SMN1; SMN2MAPTHPGD
SCHEMBL1107148 0.87 GAA (0.70) GAANPSR1LMNASMN1; SMN2MAPT
SCHEMBL11550281 0.87 GAA (0.70) GAANPSR1LMNASMN1; SMN2MAPT
SCHEMBL9267668 0.87 GAA (0.70) GAANPSR1SMN1; SMN2MAPTHPGD
SCHEMBL14402167 0.85 GAA (0.68) GAANPSR1LMNASMN1; SMN2MAPT
SCHEMBL434786 0.85 GAA (0.68) GAANPSR1SMN1; SMN2MAPTHPGD
SCHEMBL10867147 0.85 GAA (0.68) GAANPSR1LMNASMN1; SMN2MAPT
SCHEMBL7692043 0.85 GAA (0.68) GAANPSR1LMNASMN1; SMN2MAPT
SCHEMBL8554939 0.85 GAA (0.68) GAANPSR1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
CN-109803948-A Warming sensation compound 高砂香料工业株式会社 2019-05-24 CN disclosed
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2019-03-21 US disclosed
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2019-03-21 US disclosed
EP-3406607-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-11-28 EP disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
EP-2500345-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-09-19 EP disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-7910750-B2 Aryl ethers of dihydroartemisnin such as 4-methoxycarbonylmethyl phenyl-dihydroartemisinine ether; immunosuppressants; dosage forms including tablets, ointments and suppositories; side effect reduction over cyclosporin A SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2011-03-22 US disclosed
US-20080139642-A1 Artemisinin (Qinghaosu) Derivatives, Their Preparation Methods And Their Use, And Pharmaceutical Compositions Containing The Same SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2008-06-12 US disclosed
US-7238685-B2 Benzo-fused heterocycles as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-03 US disclosed
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits ACTELION PHARMACEUTICALS LTD. 2005-06-09 US disclosed
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 WO disclosed
US-3985791-A 16-Phenoxy and 16-substituted phenoxy-prostatrienoic acid derivatives SYNTEX (U.S.A.) INC. (US) 1976-10-12 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 (8 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 GAA 1970/4885NPSR1 133/4885LMNA 3516/4885
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits EDNRA, EDNRB, ECE1 GAA 2736/4885NPSR1 30/4885LMNA 983/4885
US-20080139642-A1 Artemisinin (Qinghaosu) Derivatives, Their Preparation Methods And Their Use, And Pharmaceutical Compositions Containing The Same THPO, CYP3A5, CYP3A43 GAA 3440/4885NPSR1 4403/4885LMNA 3249/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 GAA 4051/4885NPSR1 2006/4885LMNA 1475/4885
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 GAA 2270/4885NPSR1 4608/4885LMNA 2468/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 GAA 2392/4885NPSR1 712/4885LMNA 4533/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 GAA 2392/4885NPSR1 712/4885LMNA 4533/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 GAA 3363/4885NPSR1 4605/4885LMNA 2702/4885

“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.