SCHEMBL187420

SCHEMBL187420

COC(=O)C(O)c1ccc(OC)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.55
NPSR1 Q6W5P4 2/20 0.54
TSHR P16473 2/20 0.54
BLM P54132 1/20 0.54
CYP2C19 P33261 3/20 0.54
ALDH1A1 P00352 1/20 0.54
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CYP3A4 P08684 1/20 0.47
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 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
SCHEMBL187421 1.00 ACHE (0.55) ACHENPSR1TSHRBLMCYP2C19
SCHEMBL30979830 1.00 ACHE (0.55) ACHENPSR1TSHRBLMCYP2C19
SCHEMBL13816533 0.86 TSHR (0.73) NPSR1TSHRBLMALDH1A1KMT2A
SCHEMBL9129786 0.86 NPSR1 (0.55) ACHENPSR1TSHRBLMCYP2C19
SCHEMBL9381287 0.85 CA12 (0.52) ACHENPSR1TSHRBLMCYP2C19
SCHEMBL5025140 0.84 CYP2C19 (0.55) ACHENPSR1TSHRCYP2C19ALDH1A1
SCHEMBL1969716 0.84 ACHE (0.61) ACHENPSR1TSHRBLMCYP2C19
SCHEMBL18255548 0.84 ACHE (0.57) ACHENPSR1TSHRBLMCYP2C19
SCHEMBL187138 0.84 NPSR1 (0.75) ACHENPSR1TSHRBLMCYP2C19
SCHEMBL187137 0.84 NPSR1 (0.75) ACHENPSR1TSHRBLMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104888787-B Catalyst for catalyzing depolymerization of lignin into aromatic hydrocarbon compound and preparation method and application thereof 南京工业大学 2017-06-23 CN disclosed
CN-104888787-A Catalyst for catalyzing depolymerization of lignin into aromatic hydrocarbon compound and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2015-09-09 CN disclosed
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
EP-1996541-B1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
EP-1996541-B1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US disclosed
EP-2401258-A1 IONIC LIQUID SOLVENTS Dublin City University (IE) 2012-01-04 EP disclosed
JP-2011223881-A METHOD FOR PRODUCING HYDROXY GROUP-CONTAINING AROMATIC COMPOUND USING GENUS PARACOCCUS BACTERIUM IBIDEN CO LTD 2011-11-10 JP disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
EP-1996541-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2008-12-03 EP disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
WO-2007103996-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 WO disclosed
WO-2007103996-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 WO disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 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 (3 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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 ACHE 3461/4885NPSR1 4678/4885TSHR 4680/4885
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 ACHE 1485/4885NPSR1 3065/4885TSHR 4030/4885
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 ACHE 1245/4885NPSR1 2094/4885TSHR 953/4885

“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.