SCHEMBL1252425

SCHEMBL1252425

CCOc1c(C=O)cccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
ELANE P08246 1/20 0.38
LMNA P02545 2/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
SRC P12931 1/20 0.36
NLRP3 Q96P20 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
MEN1 O00255 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
SCHEMBL1253571 0.90 ALDH1A1 (0.41) CA1CA2ALDH1A1HPGDHTT
SCHEMBL1446630 0.85 CA1 (0.42) CA1CA2ALDH1A1HPGDHTT
SCHEMBL6035907 0.83 GLRA1 (0.50) SRCTDP1MAPK1
SCHEMBL16961140 0.83 GABRA1 (0.40) CA1CA2HPGDELANELMNA
SCHEMBL16957114 0.83 TSHR (0.36) CA1CA2HPGDELANELMNA
SCHEMBL5548778 0.82 CA1 (0.58) CA1CA2ALDH1A1HPGDLMNA
SCHEMBL13408054 0.81 TSHR (0.47) CA1CA2HPGDELANELMNA
SCHEMBL27775328 0.81 CA1 (0.43) CA1CA2ALDH1A1HPGDLMNA
SCHEMBL11787849 0.79 MAPT (0.45) CA1CA2ALDH1A1SCN5ASCN9A
SCHEMBL20787588 0.79 ALDH1A1 (0.43) CA1CA2ALDH1A1HPGDHTT

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
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 EP disclosed
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 EP disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-8450307-B2 Therapeutic agents, and methods of making and using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-05-28 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
EP-1828167-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS Affinium Pharmaceuticals, Inc. (CA) 2007-09-05 EP disclosed
WO-2007053131-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-05-10 WO disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US 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 (4 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-20100093705-A1 Therapeutic agents, and methods of making and using the same MCL1, DHFR, ANXA5 CA1 1949/4885CA2 1146/4885ALDH1A1 2015/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF CA1 2956/4885CA2 2330/4885ALDH1A1 4188/4885
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 CA1 1949/4885CA2 1146/4885ALDH1A1 2015/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF CA1 2956/4885CA2 2330/4885ALDH1A1 4188/4885

“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.