SCHEMBL2796366

SCHEMBL2796366

COC(=O)c1cc(Cl)ccc1OCCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ABL1 P00519 1/20 0.49
S1PR4 O95977 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSP90AA1 P07900 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
CYP2C9 P11712 1/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
NR4A2 P43354 1/20 0.47
LMNA P02545 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL6421995 0.93 SLC6A4 (0.51) MAPTTP53MAPK1L3MBTL1ABL1
SCHEMBL1154092 0.88 KDM4E (0.54) MAPTTP53L3MBTL1ABL1S1PR4
SCHEMBL2799514 0.87 MAPT (0.55) MAPTTP53ABL1S1PR4ALDH1A1
SCHEMBL4360418 0.87 LMNA (0.51) MAPTL3MBTL1ABL1S1PR4ALDH1A1
SCHEMBL929622 0.87 MAPT (0.50) MAPTTP53ABL1S1PR4ALDH1A1
SCHEMBL1505120 0.87 S1PR4 (0.52) MAPTABL1S1PR4ALDH1A1HPGD
SCHEMBL22175893 0.86 ALDH1A1 (0.60) MAPTTP53L3MBTL1ABL1S1PR4
SCHEMBL22175914 0.86 MAPT (0.50) MAPTTP53ABL1S1PR4ALDH1A1
Hydrochloric Acid SCHEMBL1505095 0.86 MAPT (0.50) MAPTTP53ABL1S1PR4ALDH1A1
SCHEMBL22175876 0.85 KDM4E (0.55) MAPTTP53L3MBTL1ABL1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 MAPT 4424/4885TP53 4082/4885MAPK1 1337/4885

“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.