SCHEMBL4245233

SCHEMBL4245233

COC(=O)c1ccc(Cc2ccc(N)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.65
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
MAPT P10636 4/20 0.56
CYP3A4 P08684 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
MAOA P21397 1/20 0.55
CYP4A11 Q02928 2/20 0.54
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP4F2 P78329 1/20 0.53

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
SCHEMBL69454 0.90 LOXL2 (0.70) LOXL2CA1CA2CA12CA9
SCHEMBL12176925 0.89 LOXL2 (0.65) LOXL2CA1CA2CA12CA9
SCHEMBL42732 0.88 CA1 (0.64) LOXL2CA1CA2CA12CA9
SCHEMBL19039710 0.88 GAA (0.53) LOXL2CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL8359634 0.86 CA1 (0.61) LOXL2CA1CA2CA12CA9
SCHEMBL28108955 0.86 CA1 (0.61) LOXL2CA1CA2CA12CA9
SCHEMBL12176878 0.86 CYP4A11 (0.70) LOXL2CA1CA2CA12CA9
SCHEMBL31147141 0.83 LOXL2 (0.61) LOXL2CA1CA2CA12CA9
SCHEMBL16155876 0.83 TDP1 (0.77) LOXL2CA1CA2CA12CA9
SCHEMBL481297 0.83 LOXL2 (0.61) LOXL2CA1CA2CA12CA9

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
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 LOXL2 3144/4885CA1 4389/4885CA2 3871/4885

“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.