SCHEMBL7086632

SCHEMBL7086632

CCOC(=O)c1[nH]c2ccc(OC(C)=O)cc2c1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 8/20 0.58
HPGD P15428 6/20 0.58
MAPT P10636 5/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
HSD17B10 Q99714 5/20 0.55
LMNA P02545 3/20 0.52
HTT P42858 1/20 0.52
NQO2 P16083 1/20 0.51
GAA P10253 5/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48
TUBB3 Q13509 3/20 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
SCHEMBL6596157 0.87 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL6598482 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL6598094 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL385458 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL7083134 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL862355 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL830378 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL2351650 0.83 GABRA1 (0.60) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL830073 0.82 KDM4E (0.54) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL1259124 0.82 KDM4E (0.61) ALDH1A1KDM4EHPGDMAPTNPC1

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-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists ASTRAZENECA AB (SE) 2003-07-31 US disclosed
EP-1252142-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-10-30 EP disclosed
WO-2001051466-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 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-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists CCR2, CCR1, CCR5 ALDH1A1 759/4885KDM4E 3030/4885HPGD 805/4885

“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.