SCHEMBL683356

SCHEMBL683356

COc1cccc(C(CC(C)(C)C)C(=O)C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
AOC3 Q16853 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GLS O94925 2/20 0.43
KCNQ2 O43526 1/20 0.43
ROCK2 O75116 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CASR P41180 1/20 0.41

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
SCHEMBL2847001 0.87 AKR1C3 (0.50) L3MBTL1MTNR1AMTNR1BAOC3TDP1
SCHEMBL13184918 0.84 MTNR1A (0.48) L3MBTL1MTNR1AMTNR1BAOC3TDP1
SCHEMBL21217301 0.84 L3MBTL1 (0.48) L3MBTL1MTNR1AMTNR1BAOC3TDP1
SCHEMBL16229190 0.81 MEN1 (0.44) TDP1KCNQ2ROCK2
SCHEMBL19575667 0.77 KMT2A (0.36) KDM4E
SCHEMBL23031177 0.77 TDP1 (0.57) L3MBTL1MTNR1AMTNR1BTDP1CASR
SCHEMBL29201224 0.75 L3MBTL1 (0.47) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL10245271 0.74 AOC3 (0.48) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL31359581 0.74 GLS (0.55) L3MBTL1MTNR1AMTNR1BAOC3GLS
SCHEMBL6366469 0.73 GLS (0.54) L3MBTL1MTNR1AMTNR1BAOC3GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL EyePoint, Inc. 2022-07-07 US disclosed
US-11253502-B2 Tie-2 activators targeting the Schlemm's canal EyePoint Pharmaceuticals, Inc. (US) 2022-02-22 US disclosed
US-20200338048-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL EyePoint, Inc. 2020-10-29 US disclosed
US-20200277267-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2020-09-03 US disclosed
US-9949956-B2 Compounds, compositions, and methods for preventing metastasis of cancer cells AERPIO THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2018-04-05 US disclosed
US-20180037579-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2018-02-08 US disclosed
US-20180022741-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2018-01-25 US disclosed
US-20180016245-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2018-01-18 US disclosed
US-20180016245-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2018-01-18 US disclosed
US-20130023542-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS INC. (US) 2013-01-24 US disclosed
US-8329916-B2 Human protein tyrosine phosphatase inhibitors and method of use AERPIO THERAPEUTICS INC. (US) 2012-12-11 US disclosed
US-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES EyePoint Pharmaceuticals, Inc. 2012-05-24 US disclosed
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EyePoint, Inc. 2012-05-24 US disclosed
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE EyePoint Pharmaceuticals, Inc. 2012-03-29 US disclosed
US-8106078-B2 Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT COMPANY, LLC (US) 2012-01-31 US disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 US disclosed
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 US disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 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 (15 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-20120129847-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 L3MBTL1 3091/4885MTNR1A 592/4885MTNR1B 685/4885
US-20120128625-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS EPCAM, CD44, CDH1 L3MBTL1 1016/4885MTNR1A 1155/4885MTNR1B 1364/4885
US-20220211675-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 L3MBTL1 4141/4885MTNR1A 1590/4885MTNR1B 823/4885
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE PTPRCAP, PPP5C, PTPRO L3MBTL1 3350/4885MTNR1A 4321/4885MTNR1B 3812/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C L3MBTL1 3001/4885MTNR1A 4321/4885MTNR1B 3877/4885
US-20180016245-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 L3MBTL1 1026/4885MTNR1A 308/4885MTNR1B 552/4885
US-11253502-B2 Tie-2 activators targeting the Schlemm's canal TIE1, TEK, TGFB2 L3MBTL1 4141/4885MTNR1A 1590/4885MTNR1B 823/4885
US-20200277267-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 L3MBTL1 1026/4885MTNR1A 308/4885MTNR1B 552/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 L3MBTL1 1026/4885MTNR1A 308/4885MTNR1B 552/4885
US-20200338048-A1 TIE-2 ACTIVATORS TARGETING THE SCHLEMM'S CANAL TIE1, TEK, TGFB2 L3MBTL1 4141/4885MTNR1A 1590/4885MTNR1B 823/4885
US-20180037579-A1 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES FLT4, VEGFA, AQP3 L3MBTL1 3091/4885MTNR1A 592/4885MTNR1B 685/4885
US-20180022741-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR L3MBTL1 4715/4885MTNR1A 2436/4885MTNR1B 1098/4885
US-20130023542-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C L3MBTL1 3001/4885MTNR1A 4321/4885MTNR1B 3877/4885
US-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES PPM1G, PPM1F, PPM1A L3MBTL1 4731/4885MTNR1A 2994/4885MTNR1B 2378/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C L3MBTL1 3001/4885MTNR1A 4321/4885MTNR1B 3877/4885

“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.