SCHEMBL742149

SCHEMBL742149

O=Cc1ccc(OCc2ccccc2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
MAOA P21397 4/20 0.56
ALOX5 P09917 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
IP6K1 Q92551 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
TOP1 P11387 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LCK P06239 1/20 0.47

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
SCHEMBL1564068 0.92 MAOB (0.56) MAOBMAOAPOLBMAPTNPC1
SCHEMBL14117266 0.88 MAOB (0.60) MAOBMAOANPC1RAB9AMEN1
SCHEMBL16742764 0.87 MAOA (0.43) MAOBMAOAALOX5POLBMAPT
SCHEMBL14117265 0.87 MAOB (0.66) MAOBMAOAPOLBMAPT
SCHEMBL30398935 0.87 MAOB (0.66) MAOBMAOAPOLBMAPT
SCHEMBL4446845 0.86 ERN1 (0.58) MAOBMAOACCNB2CDK1CDK4
SCHEMBL1564070 0.86 CCNB2 (0.46) MAOBMAOAPOLBMAPTNPC1
SCHEMBL8327914 0.85 MAOA (0.61) MAOBMAOAALOX5POLBMAPT
SCHEMBL28489661 0.84 MAOB (0.63) MAOBMAOAPOLBMAPT
SCHEMBL28482963 0.84 MAOB (0.63) MAOBMAOAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 US disclosed
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 US disclosed
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 US disclosed
US-11691959-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds AVEXXIN AS (NO) 2023-07-04 US disclosed
US-11691959-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds AVEXXIN AS (NO) 2023-07-04 US disclosed
US-20230074558-A1 DIMERIC COMPOUNDS AS STING AGONISTS MERSANA THERAPEUTICS, INC. 2023-03-09 US disclosed
US-20220363659-A1 ANTI-INFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES AND 2-OXOTHIOPHENES COMPOUNDS AVEXXIN AS (NO) 2022-11-17 US disclosed
EP-4069683-A1 DIMERIC COMPOUNDS AS STING AGONISTS Mersana Therapeutics, Inc. (US) 2022-10-12 EP disclosed
CN-108707140-B Protease C inhibitors 勃林格殷格翰国际有限公司 2022-07-22 CN disclosed
US-11034666-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds AVEXXIN AS (NO) 2021-06-15 US disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed
US-6740676-B2 TREATING DISEASES CONTROLLED BY OR RESPONSIVE TO RETINOIC ACID ALLERGAN, INC. 2004-05-25 US disclosed
US-20040077721-A1 Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A ALLERGAN, INC. 2004-04-22 US disclosed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO disclosed
US-20030207937-A1 4-[(8-Substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-yl-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. 2003-11-06 US disclosed
US-20030191181-A1 4-[(8-Ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-benzoic and 2-[4-[(8-ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-phenyl]-acetic acid, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. 2003-10-09 US disclosed
WO-2003080594-A1 SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY ALLERGAN, INC. (US) 2003-10-02 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 (9 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-20030191181-A1 4-[(8-Ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-benzoic and 2-[4-[(8-ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-phenyl]-acetic acid, their esters and salts having cytochrome P450RAI inhibitory activity RXRA, RARA, CYP26A1 MAOB 1115/4885MAOA 483/4885ALOX5 264/4885
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ MAOB 924/4885MAOA 699/4885ALOX5 832/4885
US-11034666-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds CASP1, OXER1, IL1B MAOB 2128/4885MAOA 3299/4885ALOX5 94/4885
US-20040077721-A1 Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A RARA, CYP2R1, RXRA MAOB 616/4885MAOA 299/4885ALOX5 227/4885
US-20230074558-A1 DIMERIC COMPOUNDS AS STING AGONISTS STING1, CGAS, MAVS MAOB 3455/4885MAOA 3798/4885ALOX5 3287/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR MAOB 4027/4885MAOA 4312/4885ALOX5 3343/4885
US-20220363659-A1 ANTI-INFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES AND 2-OXOTHIOPHENES COMPOUNDS OXER1, CASP1, IL6 MAOB 2182/4885MAOA 3304/4885ALOX5 102/4885
US-20030207937-A1 4-[(8-Substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-yl-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity RXRA, RARA, CYP26A1 MAOB 660/4885MAOA 191/4885ALOX5 732/4885
US-11691959-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds CASP1, IL1B, OXER1 MAOB 2381/4885MAOA 3529/4885ALOX5 128/4885

“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.