SCHEMBL4147974

SCHEMBL4147974

Cc1cccc(N2CCN(C(=O)c3ccc(O)cc3O)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
HSP90AB1 P08238 2/20 0.48
HSP90AA1 P07900 1/20 0.48
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
ALDH1A1 P00352 2/20 0.45
GBA1 P04062 8/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL17659674 0.77 HTR3E (0.56) NPC1RAB9AHTR3EHTR3BHTR3A
SCHEMBL14758421 0.76 ALDH1A1 (0.57) NPC1RAB9AHTR3EHTR3BHTR3A
SCHEMBL20339488 0.76 HTR3E (0.63) NPC1RAB9AHTR3EHTR3BHTR3A
SCHEMBL20140544 0.75 ALDH1A1 (0.48) NPC1RAB9AHTR3EHTR3BHTR3A
SCHEMBL6480598 0.74 PARP1 (0.48) NPC1RAB9AHTR3EHTR3BHTR3A
SCHEMBL6233177 0.74 ACACB (0.53) POLBNPC1RAB9AHTR3EHTR3B
SCHEMBL4145929 0.74 SLC6A7 (0.55) POLBHSP90AB1HSP90AA1ALDH1A1KDM4E
SCHEMBL6186684 0.73 SMN1; SMN2 (0.60) POLBHTR3EHTR3BHTR3AHTR3D
SCHEMBL5462615 0.72 HTR3E (0.77) NPC1RAB9AHTR3EHTR3BHTR3A
SCHEMBL6186542 0.72 HCRTR1 (0.56) NPC1RAB9AHTR3EHTR3BHTR3A

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 POLB 3800/4885NPC1 521/4885RAB9A 588/4885

“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.