SCHEMBL6318217

SCHEMBL6318217

CCOC(=O)C(C)(C)Oc1ccc2[nH]c(C)c(C(=O)OCc3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
RAB9A P51151 4/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
ALOX5 P09917 3/20 0.48
GABRA1 P14867 3/20 0.47
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRA2 P47869 3/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPK10 P53779 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PPARA Q07869 3/20 0.45

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
SCHEMBL6658684 0.97 GAA (0.50) GAARAB9AKMT2ANPC1ALOX5
SCHEMBL6651884 0.96 GAA (0.60) GAARAB9AKMT2ANPC1ALOX5
SCHEMBL6314420 0.91 GAA (0.50) GAARAB9AKMT2ANPC1ALOX5
SCHEMBL6314929 0.87 GAA (0.47) GAARAB9AKMT2ANPC1ALOX5
SCHEMBL13309192 0.82 GABRA1 (0.67) GAARAB9AKMT2ANPC1ALOX5
SCHEMBL7827626 0.81 GAA (0.53) GAARAB9AKMT2ANPC1ALOX5
SCHEMBL6314661 0.81 GAA (0.50) GAARAB9AKMT2ANPC1ALOX5
SCHEMBL6317769 0.80 GAA (0.49) GAARAB9AKMT2ANPC1ALOX5
SCHEMBL6315808 0.79 GAA (0.74) GAARAB9AKMT2ANPC1ALOX5
SCHEMBL6316345 0.78 GAA (0.50) GAARAB9AKMT2ANPC1ALOX5

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-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 US disclosed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 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-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 GAA 3980/4885RAB9A 2317/4885KMT2A 4021/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 GAA 3668/4885RAB9A 2442/4885KMT2A 3935/4885

“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.