SCHEMBL4597491

SCHEMBL4597491

COC(=O)c1ccc(Oc2ccc(C=O)c(C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
KLF5 Q13887 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ERN1 O75460 2/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4597946 0.86 ALDH1A1 (0.54) ALDH1A1LMNATSHRNPSR1KDM4E
SCHEMBL4597845 0.86 LMNA (0.50) ALDH1A1LMNATSHRNPSR1KDM4E
SCHEMBL3980466 0.86 TDP1 (0.44) ALDH1A1KDM4ESMN1; SMN2KMT2ACYP1A2
SCHEMBL4597441 0.85 ALDH1A1 (0.39) ALDH1A1LMNATSHRNPSR1KDM4E
SCHEMBL4598347 0.82 ALDH1A1 (0.50) ALDH1A1LMNANPSR1KDM4EL3MBTL1
SCHEMBL13809916 0.81 LOXL2 (0.53) ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL4140304 0.81 KDM4E (0.46) ALDH1A1LMNAKDM4EGAASMN1; SMN2
SCHEMBL4597455 0.80 CYP4F2 (0.42) ALDH1A1LMNAKDM4ERAB9A
SCHEMBL4597485 0.80 ALDH1A1 (0.56) ALDH1A1LMNATSHRNPSR1KDM4E
SCHEMBL13809817 0.80 MMP13 (0.59) ALDH1A1KDM4ESMN1; SMN2KMT2ACYP3A4

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 4700/4885TSHR 2129/4885

“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.