SCHEMBL690324

SCHEMBL690324

COc1ccc(C(O)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP17A1 P05093 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL19728201 0.88 CA1 (0.58) AOC3CA12CA1CA2CA7
SCHEMBL3695690 0.88 CA1 (0.58) AOC3CA12CA1CA2CA7
SCHEMBL11938486 0.88 CA1 (0.58) AOC3CA12CA1CA2CA7
SCHEMBL19728209 0.88 CA1 (0.58) AOC3CA12CA1CA2CA7
SCHEMBL11938484 0.88 CA1 (0.58) AOC3CA12CA1CA2CA7
SCHEMBL7167395 0.87 MAPT (0.50) AOC3ALDH1A1TSHRMAPK1TDP1
Erythro Anethole Glycol SCHEMBL3234807 0.86 AOC3 (0.53) AOC3CA12CA1CA2CA7
SCHEMBL10894587 0.84 CYP17A1 (0.46) MEN1RAB9AKMT2ACYP17A1CYP2C9
SCHEMBL5484871 0.83 KDM4E (0.57) AOC3ALDH1A1TSHRMAPK1TDP1
SCHEMBL18082658 0.83 KDM4E (0.57) AOC3ALDH1A1TSHRMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-20210128667-A1 IMMUNOPROTEASOME INHIBITORS AND IMMUNOSUPPRESSIVE AGENT IN THE TREATMENT OF AUTOIMMUNE DISORDERS KEZAR LIFE SCIENCES 2021-05-06 US disclosed
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2020-07-02 US disclosed
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
US-20200062706-A1 LACTAM COMPOSTIONS CONOPCO INC DBA UNILEVER (US) 2020-02-27 US disclosed
US-RE47302-E1 Peptide epoxyketone immunoproteasome inhibitors ONYX THERAPEUTICS INC. (US) 2019-03-19 US disclosed
US-8309730-B2 Nonsteroidal compounds useful as modulators of glucocorticoid receptor AP-1 and/or NF-kappab acitivity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
EP-1300381-B1 Process for preparing optically active alcohols JAPAN SCIENCE & TECH AGENCY (JP) 2006-03-08 EP disclosed
US-6887820-B1 For producing optically active secondary alcohols, producing optically active compounds useful for various utilities such as intermediates for synthesizing pharmaceutical agents, liquid crystal materials and agents for optical resolution JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2005-05-03 US disclosed
US-6184381-B1 USEFUL AS INTERMEDIATES FOR SYNTHESIZING PHARMACEUTICAL CHEMICALS, LIQUID CRYSTAL MATERIALS AND AGENTS FOR OPTICAL RESOLUTION, REDUCTION, KETONES TO ALCOHOL, IMINES TO AMINES JAPAN SCIENCE & TECHNOLOGY CORP. (JP) 2001-02-06 US disclosed
EP-0916637-A1 PROCESS FOR PREPARATING OPTICALLY ACTIVE COMPOUNDS Japan Science and Technology Corporation (JP) 1999-05-19 EP disclosed
EP-0421759-B1 Method for producing 1-indanone derivatives HOECHST CELANESE CORP (US) 1995-06-07 EP disclosed
US-5179229-A Preparation of 2,2-diorgano-3-arylpropionic acids and esters thereof HOECHST CELANESE CORPORATION (US) 1993-01-12 US disclosed
US-5012007-A Method for producing 1-indanone derivatives HOECHST CELANESE CORPORATION, A CORP. OF DE 1991-04-30 US disclosed
EP-0421759-A2 Method for producing 1-indanone derivatives HOECHST CELANESE CORPORATION (US) 1991-04-10 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 (6 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP AOC3 1515/4885CA12 2341/4885CA1 466/4885
US-20200062706-A1 LACTAM COMPOSTIONS QPCT, AAAS, APH1A AOC3 3157/4885CA12 710/4885CA1 904/4885
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP AOC3 1515/4885CA12 2341/4885CA1 466/4885
US-20210128667-A1 IMMUNOPROTEASOME INHIBITORS AND IMMUNOSUPPRESSIVE AGENT IN THE TREATMENT OF AUTOIMMUNE DISORDERS PSMB6, SERPINA3, PSMB10 AOC3 3962/4885CA12 2688/4885CA1 2628/4885
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP AOC3 1515/4885CA12 2341/4885CA1 466/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E AOC3 2749/4885CA12 4788/4885CA1 4627/4885

“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.