SCHEMBL97687

SCHEMBL97687

O=[C]c1ccc2c(c1)CCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.47
DYRK1B Q9Y463 3/20 0.47
CLK1 P49759 1/20 0.47
CTNNB1 P35222 7/20 0.46
WNT3A P56704 7/20 0.46
NOTUM Q6P988 1/20 0.44
PRKCI P41743 1/20 0.41
ACACB O00763 3/20 0.40
RIPK1 Q13546 1/20 0.38
DYRK2 Q92630 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TRIM24 O15164 1/20 0.36
BRD1 O95696 1/20 0.36
BRPF1 P55201 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36

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
SCHEMBL3844804 0.89 ACACB (0.48) DYRK1ADYRK1BCLK1PRKCIACACB
SCHEMBL96206 0.86 CTNNB1 (0.38) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL6210848 0.83 CLK1 (0.33) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL4849472 0.82 DYRK1A (0.43) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL10317153 0.82 CLK1 (0.43) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL4734542 0.82 DYRK1A (0.43) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL97119 0.79 NPC1 (0.45)
SCHEMBL4737647 0.77 ACACB (0.42) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL27606353 0.75 DYRK1A (0.47) DYRK1ADYRK1BCLK1CTNNB1WNT3A
SCHEMBL3030269 0.75 TSHR (0.46) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310767-A1 NADPH OXIDASE 4 INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2018-04-25 EP claimed
WO-2016207785-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-29 WO claimed
EP-1485368-A1 SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY Allergan, Inc. (US) 2004-12-15 EP claimed
US-6740676-B2 TREATING DISEASES CONTROLLED BY OR RESPONSIVE TO RETINOIC ACID ALLERGAN, INC. 2004-05-25 US claimed
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 claimed
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 claimed
WO-2003080594-A1 SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY ALLERGAN, INC. (US) 2003-10-02 WO claimed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
EP-1485368-A1 SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY Allergan, Inc. (US) 2004-12-15 EP 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
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 (5 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 DYRK1A 2845/4885DYRK1B 3452/4885CLK1 4579/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB DYRK1A 773/4885DYRK1B 273/4885CLK1 486/4885
US-20040077721-A1 Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A RARA, CYP2R1, RXRA DYRK1A 3740/4885DYRK1B 4274/4885CLK1 3489/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 DYRK1A 327/4885DYRK1B 233/4885CLK1 304/4885
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 DYRK1A 1848/4885DYRK1B 3086/4885CLK1 4264/4885

“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.