SCHEMBL4596630

SCHEMBL4596630

Cc1nc(Sc2ccc(CC(=O)O)cc2)ccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.40
SRC P12931 1/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CASP6 P55212 1/20 0.38
DGAT1 O75907 1/20 0.38
KLKB1 P03952 1/20 0.37
CTSB P07858 1/20 0.37
CA2 P00918 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
HSD17B10 Q99714 2/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
AKR1B1 P15121 1/20 0.35
GAA P10253 2/20 0.35
ABCC4 O15439 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL5576537 0.86 TP53 (0.41) CYP26A1SRCLMNATP53RXFP1
SCHEMBL4596971 0.86 CYP4F2 (0.41) ALDH1A1HPGDGAA
SCHEMBL4596529 0.82 TYMS (0.44) LMNAHSD17B10ALDH1A1HPGDGAA
SCHEMBL4598185 0.81 NR4A1 (0.41) LMNATP53RXFP1ALDH1A1HPGD
SCHEMBL5575494 0.78 NPC1 (0.37) TP53ALDH1A1HPGDHTT
SCHEMBL4597157 0.76 ALDH1A1 (0.46) LMNARXFP1CA2HSD17B10ALDH1A1
SCHEMBL5572439 0.75 ALDH1A1 (0.40) LMNATP53RXFP1ALDH1A1HTT
SCHEMBL4597190 0.74 HAO1 (0.44) LMNAALDH1A1
SCHEMBL4596513 0.73 MAOA (0.44) TP53ALDH1A1GAAKDM4E
SCHEMBL4128161 0.73 F2 (0.47) SRCLMNADGAT1PTGS1KDM4E

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 3 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
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 CYP26A1 3319/4885SRC 850/4885LMNA 4700/4885

“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.