SCHEMBL3374529

SCHEMBL3374529

CC(=O)OCc1ncc(CO)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
HTT P42858 1/20 0.52
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 2/20 0.48
KMT2A Q03164 1/20 0.46
AGTR1 P30556 1/20 0.45
TP53 P04637 2/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL3375484 0.84 ALDH1A1 (0.43) POLBHTTALDH1A1AGTR1CYP2C19
SCHEMBL3373963 0.80 POLB (0.63) POLBHTTALDH1A1MAPK1KMT2A
SCHEMBL3374530 0.74 ALDH1A1 (0.49) ALDH1A1AGTR1CYP2C19LMNA
SCHEMBL14005999 0.73 POLB (0.66) POLBHTTALDH1A1MAPK1KMT2A
SCHEMBL7165398 0.71 POLB (0.63) POLBHTTALDH1A1MAPK1KMT2A
SCHEMBL7259729 0.69 CYP11B1 (0.61) ALDH1A1
SCHEMBL7885255 0.69 CYP19A1 (0.50) POLBALDH1A1MAPK1KMT2AAGTR1
E1501 SCHEMBL6403243 0.69 ALDH1A1 (0.85) ALDH1A1MAPK1KMT2ALMNA
SCHEMBL2733465 0.69 POLB (0.60) POLBHTTALDH1A1MAPK1KMT2A
E1501 SCHEMBL901210 0.68 ALDH1A1 (1.00) ALDH1A1MAPK1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752455-B1 Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2010-11-10 EP disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
EP-1752455-A2 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2007-02-14 EP disclosed
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-11-09 US disclosed
US-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US disclosed
EP-1317451-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-08-09 EP disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
EP-1317451-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 US disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 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-20060252795-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 POLB 2063/4885HTT 4778/4885ALDH1A1 1249/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 POLB 2063/4885HTT 4778/4885ALDH1A1 1249/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 POLB 2063/4885HTT 4778/4885ALDH1A1 1249/4885

“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.