SCHEMBL2811130

SCHEMBL2811130

CCOC(=O)c1ccc2c(c1)CC(C)(C)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
USP2 O75604 3/20 0.46
ALOX15 P16050 3/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HSD17B2 P37059 1/20 0.43
RAB9A P51151 3/20 0.43

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
SCHEMBL6210404 0.86 COXFA4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL31026771 0.86 COXFA4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL15947259 0.84 MAPT (0.47) CA12CA1CA2CA7CA9
SCHEMBL10407993 0.81 MAPT (0.44) MAPTALDH1A1KDM4EHSD17B10GAA
SCHEMBL12479388 0.80 ALDH1A1 (0.57) MAPTALDH1A1KDM4EHSD17B10GAA
SCHEMBL9850219 0.80 RARA (0.52) CA12CA1CA2CA7CA9
SCHEMBL2812534 0.79 RXRA (0.52) CA12CA1CA2CA9MAPT
SCHEMBL103150 0.79 MAPT (0.47) MAPTALDH1A1RECQLKDM4EHSD17B10
SCHEMBL4516578 0.78 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL8319042 0.78 MAPT (0.39) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170850-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2014-09-24 EP disclosed
US-8809539-B2 Dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2014-08-19 US disclosed
US-8809539-B2 Dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2014-08-19 US disclosed
US-8809539-B2 Dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2014-08-19 US disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
EP-2170850-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-04-07 EP disclosed
EP-2014653-A1 Novel dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2009-01-14 EP disclosed
WO-2008152149-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2008-12-18 WO disclosed
WO-2008152149-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2008-12-18 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 (1 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-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR2, S1PR5 CA12 4411/4885CA1 3457/4885CA2 2020/4885

“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.