SCHEMBL4179934

SCHEMBL4179934

CCOC(=O)c1ccc2c(c1)CCC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.55
SRD5A2 P31213 1/20 0.55
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 2/20 0.52
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
MAPK14 Q16539 1/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BRAF P15056 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
SCHEMBL552474 0.91 ALDH1A1 (0.53) SRD5A1SRD5A2ALDH1A1MAPK1CA12
SCHEMBL10443684 0.91 CA12 (0.57) SRD5A1SRD5A2ALDH1A1MAPK1CA12
SCHEMBL17400409 0.89 HSD17B1 (0.56) SRD5A1SRD5A2ALDH1A1MAPK1CA12
SCHEMBL30583381 0.88 BRD4 (0.55) SRD5A1SRD5A2ALDH1A1MAPK1CA12
SCHEMBL31337617 0.88 BRD4 (0.55) SRD5A1SRD5A2ALDH1A1MAPK1CA12
SCHEMBL2653935 0.86 ALDH1A1 (0.54) SRD5A1ALDH1A1MAPK1ESR1MAPT
SCHEMBL38659727 0.86 ALDH1A1 (0.54) SRD5A1ALDH1A1MAPK1ESR1MAPT
SCHEMBL13798314 0.84 CA12 (0.50) SRD5A1SRD5A2ALDH1A1MAPK1CA12
SCHEMBL4916631 0.83 MAPT (0.58) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL1918550 0.83 MAPT (0.58) SRD5A1SRD5A2ALDH1A1MAPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013808-B1 ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-04-15 EP disclosed
US-9387203-B2 Substituted aminoindane- and aminotetralinecarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-12 US disclosed
EP-3013808-A1 ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP Merial, Inc. (US) 2016-05-04 EP disclosed
US-20150174113-A1 SUBSTITUTED AMINOINDANE- AND AMINOTETRALINECARBOXYLIC ACIDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 US disclosed
WO-2014206908-A1 ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP BASF SE (DE) 2014-12-31 WO disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
EP-1802577-A1 INDANE AMIDES WITH ANTIPROLIFERATIVE ACTIVITY Bayer Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
WO-2006062580-A1 INDANE AMIDES WITH ANTIPROLIFERATIVE ACTIVITY BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 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 (2 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-20150174113-A1 SUBSTITUTED AMINOINDANE- AND AMINOTETRALINECARBOXYLIC ACIDS AND THE USE THEREOF AADAT, DDC, AASDHPPT SRD5A1 1444/4885SRD5A2 1760/4885ALDH1A1 1430/4885
US-20090247590-A1 Indane amides MKI67, PPIP5K2, CCNA1 SRD5A1 1120/4885SRD5A2 809/4885ALDH1A1 1080/4885

“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.