SCHEMBL4157825

SCHEMBL4157825

Cc1ccc(OCC2CCCN(C(=O)c3ccc(O)cc3O)C2)cn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
HCRTR2 O43614 4/20 0.48
HCRTR1 O43613 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP4F2 P78329 4/20 0.47
CYP4A11 Q02928 4/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRNB3 Q05901 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4151298 0.80 ALDH1A1 (0.45) KMT2AHCRTR2HCRTR1NPC1RAB9A
SCHEMBL4147764 0.74 HSP90AA1 (0.48) ALDH1A1HPGD
SCHEMBL4150661 0.73 GRIN2D (0.45) KMT2ANPC1RAB9A
SCHEMBL16413263 0.72 HSP90AA1 (0.39) HCRTR2HCRTR1NPC1RAB9AALDH1A1
SCHEMBL16413266 0.72 HSP90AA1 (0.39) HCRTR2HCRTR1NPC1RAB9AALDH1A1
SCHEMBL15607307 0.72 HSP90AA1 (0.39) HCRTR2HCRTR1NPC1RAB9AALDH1A1
SCHEMBL4151936 0.71 HPGD (0.83) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL22106515 0.71 HSP90AA1 (0.38) KMT2AHCRTR2HCRTR1NPC1RAB9A
SCHEMBL13965488 0.70 HCRTR2 (0.79) HCRTR2HCRTR1
SCHEMBL4143159 0.70 MGLL (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US claimed
EP-1879863-A1 AMIDE RESORCINOL COMPOUNDS Pfizer, Inc. (US) 2008-01-23 EP claimed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 WO claimed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
EP-1879863-A1 AMIDE RESORCINOL COMPOUNDS Pfizer, Inc. (US) 2008-01-23 EP disclosed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 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-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P KMT2A 3148/4885HCRTR2 1991/4885HCRTR1 1603/4885

“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.