SCHEMBL827792

SCHEMBL827792

CCOC(=O)c1ccc2ccoc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
HTR1B P28222 1/20 0.51
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B2 P37059 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6824879 0.88 CTNNB1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL28375850 0.84 HTR1B (0.48) CA12CA1CA2CA7CA9
SCHEMBL6432198 0.82 HTR1B (0.47) CA12CA1CA2CA7CA9
SCHEMBL3641214 0.82 HTR1B (0.59) CA12CA1CA2CA7CA9
SCHEMBL15842206 0.80 KMT2A (0.57) CA12CA1CA2CA7CA9
SCHEMBL707407 0.79 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL30427164 0.79 HTR1B (0.55) HTR1BALDH1A1MAPTCTNNB1WNT3A
SCHEMBL14135299 0.79 HTR1B (0.55) HTR1BALDH1A1MAPTCTNNB1WNT3A
SCHEMBL1960994 0.78 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL103577 0.76 HTR1B (0.59) HTR1BCYP3A4MAOAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-01 US disclosed
EP-4406950-A2 LFA-1 INHIBITOR AND POLYMORPH THEREOF Bausch + Lomb Ireland Limited (IE) 2024-07-31 EP disclosed
EP-3715345-B1 PREPARATION OF LFA-1 INHIBITOR NOVARTIS AG (CH) 2024-04-10 EP disclosed
WO-2022065962-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF 한국화학연구원 2022-03-31 WO disclosed
US-10906892-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-02-02 US disclosed
EP-3715345-A2 PREPARATION OF LFA-1 INHIBITOR AND POLYMORPH THEREOF Novartis AG (CH) 2020-09-30 EP disclosed
CN-110922393-A LFA-1 inhibitors and polymorphs thereof 诺华股份有限公司 2020-03-27 CN disclosed
US-20200087287-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF SARCODE BIOSCIENCE INC. (US) 2020-03-19 US disclosed
CN-109641908-A Five-ring heterocycles simultaneously [3,4-d] pyridazinone compound, preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2019-04-16 CN disclosed
US-20180251452-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF SARCODE BIOSCIENCE INC. (US) 2018-09-06 US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP disclosed
WO-2011050175-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF SARCODE CORPORATION (US) 2011-04-28 WO disclosed
WO-2011050175-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF SARCODE CORPORATION (US) 2011-04-28 WO disclosed
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE CORPORATION (US) 2011-04-21 US disclosed
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE CORPORATION (US) 2011-04-21 US disclosed
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE CORPORATION (US) 2011-04-21 US disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 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 (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-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF MLKL, PCSK9, CTSA CA12 3261/4885CA1 4379/4885CA2 3095/4885
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS CA12 3195/4885CA1 4662/4885CA2 2716/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS CA12 3195/4885CA1 4662/4885CA2 2716/4885
US-20200087287-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 CA12 1898/4885CA1 1827/4885CA2 2827/4885
US-20180251452-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 CA12 1898/4885CA1 1827/4885CA2 2827/4885
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 CA12 1898/4885CA1 1827/4885CA2 2827/4885
US-10906892-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof ITGB1, ITGA1, VCAM1 CA12 3964/4885CA1 2795/4885CA2 4707/4885

“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.