SCHEMBL95876

SCHEMBL95876

CC(C)(Cc1ccccc1)O[C]=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
TRPA1 O75762 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MMP8 P22894 3/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
FDPS P14324 1/20 0.37
CTSK P43235 1/20 0.37
CYP1A2 P05177 2/20 0.36
RECQL P46063 2/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL4980093 0.81 ALDH1A1 (0.37) SLC6A2TAAR1ALDH1A1
SCHEMBL5258390 0.81 FDPS (0.41) LMNACYP2D6SMN1; SMN2CYP2C9CYP2C19
SCHEMBL5422612 0.79 TAAR1 (0.47) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL28006092 0.79 SLC6A2 (0.42) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL97085 0.78 TSHR (0.47) SMN1; SMN2PPARAALDH1A1
SCHEMBL97035 0.78 SLC6A2 (0.41) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL28006096 0.77 PTPN1 (0.41) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL1157985 0.76 SLC6A2 (0.56) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL3385591 0.76 SLC6A2 (0.56) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL9982526 0.75 TSHR (0.44) SMN1; SMN2MMP8PPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197784-A1 Process for producing dioxolane nucleoside analogues TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 US 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
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 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
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN disclosed
EP-0310214-A2 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1989-04-05 EP disclosed
CN-1030237-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1989-01-11 CN disclosed
US-4795815-A BACTERICIDES, MICROBIOCIDES ELI LILLY AND COMPANY (US) 1989-01-03 US disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed
US-4716232-A 1-(vinyl phosphonate adduct) pyrazolidinones ELI LILLY AND COMPANY (US) 1987-12-29 US disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0203723-A1 2,3-(dihydro)bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202794-A1 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 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 (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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB SLC6A2 4460/4885TAAR1 3793/4885LMNA 3740/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SLC6A2 4323/4885TAAR1 2154/4885LMNA 4860/4885
US-20070197784-A1 Process for producing dioxolane nucleoside analogues NUDT1, DPYD, DUT SLC6A2 178/4885TAAR1 2560/4885LMNA 898/4885

“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.