SCHEMBL3758657

SCHEMBL3758657

Cc1cc[n+]([O-])c(Cl)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR5 P51681 3/20 0.36
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
NOTUM Q6P988 2/20 0.33
MAPK14 Q16539 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP3A4 P08684 1/20 0.32
ACHE P22303 1/20 0.32
DHODH Q02127 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL2085322 0.82 CCR5 (0.44) TDP1L3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3392120 0.67 TDP1 (0.48) TDP1L3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL27511348 0.67 ALDH1A1 (0.45) TDP1L3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL977540 0.67 HCAR2 (0.39) TDP1L3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL977541 0.67 HCAR2 (0.39) TDP1L3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL14272580 0.67 CCR5 (0.42) ALDH1A1CCR5KDM4EMAPK14CYP3A4
SCHEMBL13542937 0.67 CCR5 (0.42) CCR5MAPK14
SCHEMBL1935380 0.67 ALDH1A1 (0.48) TDP1ALDH1A1SMN1; SMN2HSD17B10CYP3A4
SCHEMBL2940686 0.65 ALDH1A1 (0.47) TDP1L3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4068248 0.64 CA12 (0.49) TDP1ALDH1A1SMN1; SMN2CCR5KDM4E

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
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 TDP1 4502/4885L3MBTL1 3659/4885ALDH1A1 3358/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 TDP1 4502/4885L3MBTL1 3659/4885ALDH1A1 3358/4885

“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.