SCHEMBL4598347

SCHEMBL4598347

COc1ccc(Oc2ccc(C=O)c(C)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAP4K4 O95819 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TRIM24 O15164 1/20 0.45
TYR P14679 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2A6 P11509 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5572824 0.87 KDM4E (0.43) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4140304 0.85 KDM4E (0.46) ALDH1A1LMNAMAP4K4L3MBTL1TRIM24
SCHEMBL5575305 0.85 KDM4E (0.42) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4597491 0.82 ALDH1A1 (0.53) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL29935910 0.82 NNMT (0.50) ALDH1A1CYP1A2TRIM24TYRTRIM33
SCHEMBL14032801 0.82 NNMT (0.50) ALDH1A1CYP1A2TRIM24TYRTRIM33
SCHEMBL4124019 0.82 KDM4E (0.39) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL3980466 0.81 TDP1 (0.44) ALDH1A1CYP1A2CYP2C19MAP4K4KMT2A
SCHEMBL3985523 0.81 KDM4E (0.39) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4596118 0.81 MAP4K4 (0.51) LMNAMAP4K4MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 ALDH1A1 3484/4885LMNA 4700/4885CYP1A2 4327/4885

“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.