SCHEMBL4597190

SCHEMBL4597190

COc1ccc(Sc2ccc(C=O)c(C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
CYP2A6 P11509 1/20 0.41
TERT O14746 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
DHFR P00374 2/20 0.39
ERN1 O75460 1/20 0.38
CHEK2 O96017 1/20 0.37
PTGIR P43119 1/20 0.36

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
SCHEMBL5575494 0.83 NPC1 (0.37) HAO1ALDH1A1MAPT
SCHEMBL4597157 0.80 ALDH1A1 (0.46) ALDH1A1LMNACYP1A2MAPTERN1
SCHEMBL4598185 0.80 NR4A1 (0.41) ALDH1A1LMNAMAPTPOLB
SCHEMBL4596529 0.78 TYMS (0.44) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4596513 0.78 MAOA (0.44) ALDH1A1CYP2A6CYP1A2CYP2C9CYP2C19
SCHEMBL4596971 0.77 CYP4F2 (0.41) ALDH1A1MAPT
SCHEMBL4597860 0.75 GAA (0.38) ALDH1A1LMNAMAPTPOLB
SCHEMBL4596630 0.74 CYP26A1 (0.40) ALDH1A1LMNA
SCHEMBL3805487 0.74 PTGIR (0.41) ALDH1A1LMNACYP1A2CYP2C9MAPT
SCHEMBL5573786 0.74 ABCG2 (0.37) ALDH1A1LMNAMAPTERN1CHEK2

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 HAO1 4393/4885ALDH1A1 3484/4885TRIM24 1087/4885

“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.