SCHEMBL13044091

SCHEMBL13044091

CC(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
SLC9A1 P19634 1/20 0.55
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
ALOX12 P18054 1/20 0.54
PTPN1 P18031 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PDE4B Q07343 3/20 0.50
SCN5A Q14524 2/20 0.50
SCN2A Q99250 2/20 0.50
SCN10A Q9Y5Y9 2/20 0.50
PDE4D Q08499 1/20 0.50
HTR1A P08908 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CNR1 P21554 1/20 0.50
DRD1 P21728 1/20 0.50

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
SCHEMBL13044126 0.87 ALDH1A1 (0.45) ALDH1A1LMNAHPGDSLC9A1ERCC5
SCHEMBL8233495 0.83 SLC9A1 (0.55) ALDH1A1LMNAHPGDSLC9A1PTPN1
SCHEMBL13044130 0.83 ALDH1A1 (0.61) ALDH1A1HPGDSLC9A1ERCC5FEN1
SCHEMBL9477782 0.81 ALDH1A1 (0.69) ALDH1A1LMNAHPGDSLC9A1ERCC5
SCHEMBL11826852 0.80 ALDH1A1 (0.63) ALDH1A1LMNAHPGDSLC9A1ERCC5
SCHEMBL13044136 0.80 RPA1 (0.51) ALDH1A1LMNAHPGDSLC9A1PDE4B
SCHEMBL13044134 0.80 KCNH2 (0.52) ALDH1A1LMNAHPGDSCN10AKCNH2
SCHEMBL13044141 0.80 CYP1A2 (0.49) ALDH1A1LMNAHPGDSLC9A1ERCC5
SCHEMBL3325905 0.79 ALDH1A1 (0.61) ALDH1A1LMNAHPGDSLC9A1ERCC5
SCHEMBL1286218 0.79 ALDH1A1 (0.70) ALDH1A1LMNAHPGDSLC9A1ERCC5

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
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US 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 (2 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1402/4885LMNA 4468/4885HPGD 748/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ALDH1A1 1402/4885LMNA 4468/4885HPGD 748/4885

“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.