SCHEMBL2608969

SCHEMBL2608969

COc1cccc(C(O)C(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
CASR P41180 2/20 0.49
ACHE P22303 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 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
SCHEMBL11604883 0.92 AOC3 (0.62) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL28623121 0.90 AOC3 (0.58) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL2032779 0.87 ADRA1A (0.61) AOC3L3MBTL1KDM4ETSHRMAPK1
SCHEMBL27650625 0.87 ADRA1A (0.61) AOC3L3MBTL1KDM4ETSHRMAPK1
SCHEMBL835948 0.87 ADRA1A (0.61) AOC3L3MBTL1KDM4ETSHRMAPK1
SCHEMBL11607083 0.86 AOC3 (0.57) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL43735 0.86 AOC3 (0.57) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL343726 0.86 AOC3 (0.57) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL43520 0.86 AOC3 (0.57) AOC3L3MBTL1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL11697885 0.85 ADRA1A (0.59) AOC3L3MBTL1KDM4EMAPK1TAAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US 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
WO-1998057910-A2 CYCLOOXYGENASE-I SELECTIVE INHIBITORS AND THE USE THEREOF AS ANALGESIC, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1998-12-23 WO disclosed
US-4094994-A ANTICANCER AGENTS, TUMOR INHIBITION, HORMONE-DEPENDENT CARCINOMAS KLINGE PHARMA GMBH (DT) 1978-06-13 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 (2 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-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF NFKBIA, RELA, NR3C1 AOC3 3161/4885L3MBTL1 4671/4885CHRM2 2180/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E AOC3 2749/4885L3MBTL1 2460/4885CHRM2 4005/4885

“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.