SCHEMBL4094591

SCHEMBL4094591

Cc1ccc(CN(Cc2cc(C)c(C)o2)C(=O)O)o1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.40
GLA P06280 1/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
AR P10275 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
SCHEMBL4079955 0.87 ALOX5 (0.47) ALOX5ALDH1A1MAPK1MAPTTP53
SCHEMBL28753850 0.68 CHRM2 (0.54) MAPK1MAPTTP53POLBLMNA
SCHEMBL4094385 0.68 L3MBTL1 (0.50) ALDH1A1MAPK1POLBKMT2APKM
SCHEMBL3577399 0.68 ALOX5 (0.44) ALOX5ALDH1A1MAPTPOLBKMT2A
SCHEMBL7958414 0.67 PTGER4 (0.47) ALDH1A1POLBGLAHPGDTSHR
SCHEMBL17801568 0.66 ALOX5 (0.56) ALOX5ALDH1A1MAPK1MAPTTP53
SCHEMBL23200223 0.65 MEN1 (0.51) ALOX5ALDH1A1MAPK1MAPTTP53
SCHEMBL8809759 0.65 ALOX5 (1.00) ALOX5POLBTHRBPKM
SCHEMBL3191339 0.64 ALOX5 (0.50) ALOX5ALDH1A1MAPTPOLBKMT2A
SCHEMBL6323573 0.64 ALOX5 (0.54) ALOX5ALDH1A1MAPK1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US claimed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US claimed
CN-1675206-A Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL PRODESFARMA SA (CH) 2005-09-28 CN claimed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP claimed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 WO claimed
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-02-26 US disclosed
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US disclosed
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US disclosed
CN-100363363-C Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL PRODESFARMA SA (CH) 2008-01-23 CN disclosed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US disclosed
CN-1675206-A Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL PRODESFARMA SA (CH) 2005-09-28 CN disclosed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP disclosed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 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 (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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 ALOX5 4013/4885ALDH1A1 1723/4885MAPK1 3026/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 ALOX5 4069/4885ALDH1A1 1793/4885MAPK1 3330/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 ALOX5 3993/4885ALDH1A1 2119/4885MAPK1 3045/4885

“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.