SCHEMBL207268

SCHEMBL207268

Cc1ccc(COP(=O)(O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
TSHR P16473 2/20 0.48
AGXT P21549 2/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
MAOB P27338 1/20 0.47
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 3/20 0.47
PARP10 Q53GL7 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 2/20 0.45
AKR1C3 P42330 1/20 0.44
BTN3A1 O00481 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL17345002 0.89 TSHR (0.58) RAB9ANPC1TSHRS1PR1S1PR3
SCHEMBL9138537 0.88 TSHR (0.64) RAB9ANPC1TSHRAGXTALDH1A1
SCHEMBL8384625 0.83 TSHR (0.52) TSHRCA2LMNAAKR1C3
SCHEMBL18363045 0.82 S1PR1 (0.42) RAB9ANPC1TSHRAGXTALDH1A1
SCHEMBL9961598 0.81 RAB9A (0.50) RAB9ANPC1TSHRAGXTALDH1A1
SCHEMBL28365963 0.81 TSHR (0.50) TSHRS1PR1S1PR3CA1CA2
SCHEMBL13395489 0.80 S1PR1 (0.46) TSHRS1PR1S1PR3LMNABTN3A1
SCHEMBL27599814 0.80 TSHR (0.55) RAB9ANPC1TSHRALDH1A1MAPT
SCHEMBL8389200 0.80 NPC1 (0.53) RAB9ANPC1AGXTALDH1A1MAPT
Butane SCHEMBL27480753 0.80 CETP (0.46) TSHRALDH1A1S1PR1S1PR3LMNA

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
CN-105367600-A Curcumin phosphate compound, preparation method and uses thereof BEIJING INST TECHNOLOGY 2016-03-02 CN claimed
WO-2021113686-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
CN-107078352-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-28 CN disclosed
CN-105367600-B A kind of curcumin phosphate compounds, Preparation method and use 北京理工大学 2017-10-10 CN disclosed
CN-107078352-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2017-08-18 CN disclosed
CN-105367600-A Curcumin phosphate compound, preparation method and uses thereof BEIJING INST TECHNOLOGY 2016-03-02 CN disclosed
US-8498038-B2 Electrochromic device SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-07-30 US disclosed
EP-2495323-A1 MODIFIED DOUBLE-STRANDED POLYNUCLEOTIDE Daiichi Sankyo Company, Limited (JP) 2012-09-05 EP disclosed
US-20120220649-A1 MODIFIED DOUBLE-STRANDED POLYNUCLEOTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-8088941-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2012-01-03 US disclosed
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-12-18 US disclosed
US-7378432-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-05-27 US disclosed
US-7378432-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-05-27 US disclosed
US-7378432-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-05-27 US disclosed
EP-1638557-A4 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS UNIV TEL AVIV FUTURE TECH DEV (IL) 2007-11-07 EP disclosed
EP-1824468-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Tel Aviv University Future Technology Development L.P. (IL) 2007-08-29 EP disclosed
WO-2006054298-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2006-05-26 WO disclosed
US-20060069066-A1 3-(4-(3-guanidinophenyl)-1,2,3-triazol-1-yl)benzyl phosphoric acid hydrochloride; obesity, non-insulin dependent diabetes mellitus, insulin-dependent condition, affective disorder, neurodegenerative diseases, psychotic disease; compounds having hydrophobic moiety to a terminus of a peptide GSK-3 TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. 2006-03-30 US disclosed
EP-1638557-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Tel Aviv University Future Technology Development L.P. (IL) 2006-03-29 EP disclosed
WO-2005000192-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2005-01-06 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 (3 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-20120220649-A1 MODIFIED DOUBLE-STRANDED POLYNUCLEOTIDE POLM, POLN, PNKP RAB9A 4715/4885NPC1 2238/4885TSHR 2251/4885
US-20060069066-A1 3-(4-(3-guanidinophenyl)-1,2,3-triazol-1-yl)benzyl phosphoric acid hydrochloride; obesity, non-insulin dependent diabetes mellitus, insulin-dependent condition, affective disorder, neurodegenerative diseases, psychotic disease; compounds having hydrophobic moiety to a terminus of a peptide GSK-3 GSK3A, GSK3B, PYGB RAB9A 2581/4885NPC1 1844/4885TSHR 1919/4885
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors GSK3B, GSK3A, GSKIP RAB9A 3968/4885NPC1 2156/4885TSHR 4565/4885

“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.