SCHEMBL13078464

SCHEMBL13078464

COc1cccc(-c2ccc(C(C)=O)o2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.67
ABCB1 P08183 1/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
C3AR1 Q16581 1/20 0.50
USP2 O75604 1/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
IKBKB O14920 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
HDAC8 Q9BY41 2/20 0.48

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
SCHEMBL3741650 0.88 SLC9A1 (0.67) SLC9A1ABCB1ALDH1A1HPGDKDM4E
SCHEMBL30175777 0.87 SLC9A1 (0.52) SLC9A1ABCB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6669312 0.86 SLC9A1 (0.73) SLC9A1ABCB1ALDH1A1HPGDKDM4E
SCHEMBL4939182 0.86 SLC9A1 (0.65) SLC9A1ABCB1ALDH1A1HPGDKDM4E
SCHEMBL13044133 0.84 SLC9A1 (0.62) SLC9A1ABCB1ALDH1A1HPGDKDM4E
SCHEMBL30175837 0.83 SMARCA2 (0.50) SLC9A1ABCB1ALDH1A1KDM4EMAPK1
SCHEMBL27310398 0.81 ALDH1A1 (0.56) SLC9A1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL30175778 0.81 ALDH1A1 (0.57) SLC9A1ALDH1A1HPGDKDM4EMEN1
SCHEMBL27649047 0.81 SLC9A1 (0.55) SLC9A1ABCB1ALDH1A1HPGDKDM4E
SCHEMBL13078324 0.79 NR4A1 (0.74) SLC9A1C3AR1CYP2C19NR4A1NR4A2

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 4 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

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 SLC9A1 773/4885ABCB1 1363/4885ALDH1A1 1402/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 SLC9A1 773/4885ABCB1 1363/4885ALDH1A1 1402/4885

“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.