SCHEMBL188251

SCHEMBL188251

COc1ccc(C)cc1OBOc1cc(C)ccc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.71
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 7/20 0.44
L3MBTL1 Q9Y468 6/20 0.44
HPGD P15428 5/20 0.44
KMT2A Q03164 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 2/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL12518 0.84 ACHE (1.00) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL29403877 0.84 ACHE (1.00) ACHEALDH1A1CYP3A4MAPTL3MBTL1
Ammonia Solution, Strong SCHEMBL27765317 0.81 ACHE (0.95) ACHEALDH1A1CYP3A4MAPTL3MBTL1
Hydrochloric Acid SCHEMBL27523444 0.81 ACHE (0.95) ACHEALDH1A1CYP3A4MAPTL3MBTL1
Methylamine SCHEMBL15398524 0.79 ACHE (0.90) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL3749110 0.78 ACHE (0.46) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL1963842 0.78 CA12 (0.71) ALDH1A1CYP3A4MAPTHPGDKMT2A
SCHEMBL2477340 0.78 MAPT (0.53) ACHEALDH1A1MAPTL3MBTL1HPGD
SCHEMBL594053 0.77 ACHE (0.44) ACHEALDH1A1HPGDKMT2ACYP2C9
SCHEMBL2070649 0.77 ACHE (0.44) ACHEALDH1A1CYP3A4MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794927-A O-linked thiadiazolyl compounds as inhibitors of DNA polymerase theta 伊迪亚生物科学有限公司 2024-03-29 CN disclosed
CN-117083271-A Substituted thiadiazolyl derivatives as DNA polymerase theta inhibitors 伊迪亚生物科学有限公司 2023-11-17 CN disclosed
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
EP-2401265-B1 DERIVATIVES OF 1-PYRI(MID)IN-2-YL-PYRAZOLE-4-CARBOXYLIC ACID WHICH ARE USEFUL FOR THERAPY OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
EP-1737811-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-10 EP disclosed
EP-2632551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-07-06 EP disclosed
US-8895583-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
EP-2674417-A2 Biaryl PDE4 inhibitors for treating inflammation Decode Genetics EHF (IS) 2013-12-18 EP disclosed
US-20070142328-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-20070142382-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 US disclosed
WO-2007039741-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
EP-1737811-A1 CETP INHIBITORS Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100298-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2005-10-27 WO disclosed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 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 (4 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 ACHE 1177/4885ALDH1A1 2602/4885CYP3A4 253/4885
US-20070142328-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB ACHE 86/4885ALDH1A1 404/4885CYP3A4 542/4885
US-20070142382-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB ACHE 86/4885ALDH1A1 404/4885CYP3A4 542/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B ACHE 38/4885ALDH1A1 150/4885CYP3A4 181/4885

“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.