SCHEMBL4057376

SCHEMBL4057376

COC(=O)c1ccc(OC)cc1OCCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALK Q9UM73 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL4307363 0.86 HDAC3 (0.57) KDM4EGLAGAAHSD17B10KMT2A
SCHEMBL7288692 0.86 PLA2G2A (0.54) KDM4EGLAGAAHSD17B10KMT2A
SCHEMBL4051605 0.85 ABL1 (0.54) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL20563031 0.84 TDP1 (0.45) KDM4EGAAHSD17B10KMT2AALDH1A1
SCHEMBL4304885 0.84 HDAC3 (0.54) KDM4EKMT2AMEN1ALDH1A1CYP1A2
SCHEMBL27009292 0.83 TDP1 (0.64) KDM4EGLAGAAHSD17B10KMT2A
Methyl 2,4-Dimethoxybenzoate SCHEMBL645462 0.82 KMT2A (0.64) KDM4EGLAGAAHSD17B10KMT2A
SCHEMBL4304248 0.81 MAPT (0.51) KDM4EGLAGAAHSD17B10KMT2A
SCHEMBL10848345 0.80 KDM4E (0.47) KDM4EALDH1A1CYP2C9NPC1NPSR1
SCHEMBL4051431 0.80 HSP90AA1 (0.58) KDM4EGAAKMT2AMEN1ALDH1A1

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
US-7622480-B2 Selective H1 histamine receptor antagonists; bronchial asthma, allergic rhinitis, conjunctivitis, dermatitis, urticaria and other allergic diseases; e.g. 3-(4-[1-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-ylmethyl)benzoic acid LABORATORIOS ALMIRALL S.A. (ES) 2009-11-24 US disclosed
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 EP disclosed
US-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2005-08-11 US disclosed
EP-1497292-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2005-01-19 EP disclosed
EP-1183251-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2004-02-11 EP disclosed
US-6683096-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA, S.A. (ES) 2004-01-27 US disclosed
WO-2003082867-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2003-10-09 WO disclosed
US-20020147344-A1 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA, S.A. (ES) 2002-10-10 US disclosed
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 EP disclosed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 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-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 KDM4E 1036/4885GLA 3094/4885GAA 1060/4885
US-20020147344-A1 Indolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 KDM4E 1249/4885GLA 3535/4885GAA 1974/4885

“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.