SCHEMBL4887726

SCHEMBL4887726

COC(=O)c1cccc(-c2ccc(C=O)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.68
ALDH1A1 P00352 1/20 0.62
CA12 O43570 2/20 0.61
CA9 Q16790 2/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
PLAU P00749 5/20 0.56
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
PGGT1B P53609 1/20 0.51
PLAT P00750 2/20 0.50
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
PLG P00747 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
DRD1 P21728 1/20 0.50

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
SCHEMBL5861135 0.89 ERN1 (0.65) ERN1ALDH1A1CA12CA9CA1
SCHEMBL31013334 0.89 ERN1 (0.65) ERN1ALDH1A1CA12CA9CA1
SCHEMBL29929690 0.88 ERN1 (0.63) ERN1ALDH1A1CA12CA9CA1
SCHEMBL27715902 0.87 CA12 (0.71) ERN1CA12CA9CA1CA2
SCHEMBL1537555 0.85 ALDH1A1 (0.68) ERN1ALDH1A1CA12CA9CA1
SCHEMBL68931 0.85 CA12 (0.69) ERN1CA12CA9CA1CA2
SCHEMBL67941 0.85 CA12 (0.68) ERN1CA12CA9CA1CA2
SCHEMBL881425 0.84 TRIM24 (0.67) ERN1ALDH1A1CA12CA9CA1
SCHEMBL6472650 0.84 TP53 (0.61) ERN1ALDH1A1
SCHEMBL2389679 0.83 ALDH1A1 (0.89) ERN1ALDH1A1CA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3327001-B1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT UNIV DONGGUK IND ACAD COOP (KR) 2022-04-13 EP disclosed
CN-108349875-B Compound having BLT inhibitory activity and composition for preventing or treating inflammatory disease comprising the same as active ingredient 东国大学校产学协力团 2021-08-27 CN disclosed
US-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-08-02 US disclosed
EP-3327001-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT Dongguk University Industry-Academic Cooperation Foundation (KR) 2018-05-30 EP disclosed
US-9522873-B2 Biphenyl derivative, pharmaceutically acceptable salt thereof, and methods for preventing or treating inflammatory diseases or autoimmune diseases DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-12-20 US disclosed
US-20150291509-A1 NOVEL BIPHENYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES COMPRISING THE SAME AS ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-10-15 US disclosed
US-20080281105-A1 Novel Quinolinium Salts and Derivatives IMMUSOL INCORPORATED (US) 2008-11-13 US disclosed
US-20080281105-A1 Novel Quinolinium Salts and Derivatives IMMUSOL INCORPORATED (US) 2008-11-13 US disclosed
US-20080281105-A1 Novel Quinolinium Salts and Derivatives IMMUSOL INCORPORATED (US) 2008-11-13 US disclosed
EP-1841428-A1 NOVEL QUINOLINIUM SALTS AND DERIVATIVES Immusol Incorporated (US) 2007-10-10 EP disclosed
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2004-03-11 US disclosed
US-6649633-B2 For treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-11-18 US disclosed
EP-1355884-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-12-19 US disclosed
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
CN-1333766-A Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds as factor xainhibitors AVENTIS PHARM PROD INC (US) 2002-01-30 CN disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 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 (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-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 ERN1 879/4885ALDH1A1 607/4885CA12 4115/4885
US-20080281105-A1 Novel Quinolinium Salts and Derivatives NQO2, MCL1, KRAS ERN1 2891/4885ALDH1A1 3206/4885CA12 3588/4885
US-20150291509-A1 NOVEL BIPHENYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES COMPRISING THE SAME AS ACTIVE INGREDIENT CD47, MSR1, CD14 ERN1 4596/4885ALDH1A1 2184/4885CA12 3572/4885
US-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT LTB4R2, CYSLTR2, LTB4R ERN1 3931/4885ALDH1A1 3365/4885CA12 4039/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 ERN1 3978/4885ALDH1A1 2804/4885CA12 1304/4885
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 ERN1 877/4885ALDH1A1 584/4885CA12 4278/4885

“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.