SCHEMBL5055068

SCHEMBL5055068

CCCCCNC=C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
DHODH Q02127 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
GLO1 Q04760 1/20 0.44
ADH1B P00325 2/20 0.44
ADH1C P00326 2/20 0.44
ADH1A P07327 2/20 0.44
ADH7 P40394 2/20 0.44
EPHX1 P07099 1/20 0.44
ADH4 P08319 1/20 0.44
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.39

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
SCHEMBL7889591 0.83 TSHR (0.49) CYP2D6ALDH1A1SMN1; SMN2ADH1BADH1C
SCHEMBL10314666 0.79 CYP2D6 (0.71) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1
SCHEMBL13885625 0.79 HPGD (0.47) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1
SCHEMBL3956082 0.79 ALDH1A1 (0.43) CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1
SCHEMBL28944281 0.78 EPHX1 (0.45) CYP2D6ALDH1A1SMN1; SMN2ADH1BADH1C
SCHEMBL16110273 0.78 CYP1A2 (0.52) CYP2D6ALDH1A1SMN1; SMN2ADH1BADH1C
SCHEMBL7882683 0.77 EPHX1 (0.50) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL27790849 0.76 CYP2D6 (1.00) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1
SCHEMBL16935734 0.74 EPHX1 (0.47) NPSR1ADH1BADH1CADH1AADH7
SCHEMBL23617086 0.73 TSHR (0.47) CYP2D6ALDH1A1SMN1; SMN2DHODHNPSR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384958-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-7378430-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-05-24 US disclosed
US-7173042-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20050113358-A1 Quinoline inhibitors of cGMP phosphodiesterase BI YINGZHI (US) 2005-05-26 US disclosed
US-6835737-B2 For treating conditions such as erectile dysfunction, cardiovascular disorders, male or female sexual dysfunction, diabetes mellitus, and gastrointestinal disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 US disclosed
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase BI YINGZHI (US) 2003-12-04 US disclosed
US-6576644-B2 Treating sexual dysfunction including erectile dysfunction, diabetes melitus, gastrointestinal disorders, including gastric paresis and cardiovascular disorders; cyclic guanosine 3',5'-monophosphate (cGMP) BRISTOL-MYERS SQUIBB CO. 2003-06-10 US disclosed
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2002-11-28 US disclosed
WO-2002020489-A2 QUINOLINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-14 WO disclosed
US-6194493-B1 STABILILZATION OF ORGANIC MATERIALS, PHOTOSTABILITY CLARIANT GMBH (DE) 2001-02-27 US disclosed
EP-0900824-A1 4-Hydroxyquinoline-3-carboxylic acid derivatives as light stabilizers Clariant GmbH (DE) 1999-03-10 EP 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-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A CYP2D6 1122/4885ALDH1A1 525/4885SMN1; SMN2 2619/4885
US-20050113358-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A CYP2D6 1122/4885ALDH1A1 525/4885SMN1; SMN2 2619/4885
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A CYP2D6 1568/4885ALDH1A1 301/4885SMN1; SMN2 2361/4885
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A CYP2D6 1122/4885ALDH1A1 525/4885SMN1; SMN2 2619/4885
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE2A, PDE3A CYP2D6 2769/4885ALDH1A1 709/4885SMN1; SMN2 3333/4885
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A CYP2D6 1122/4885ALDH1A1 525/4885SMN1; SMN2 2619/4885

“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.