SCHEMBL7086771

SCHEMBL7086771

CCc1c(C(=O)O)n(Cc2ccc(Cl)c(C(F)(F)F)c2)c2ccc(OC)c(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.48
CCR2 P41597 9/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.39
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
PTGER1 P34995 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6595115 0.88 ABCB11 (0.55) ABCB11CCR2EDNRBEDNRA
SCHEMBL7087364 0.88 ABCB11 (0.52) ABCB11CCR2PTGDR2TP53
SCHEMBL7592632 0.75 ABCB11 (0.41) ABCB11CCR2MAPTLMNAMEN1
SCHEMBL7083775 0.74 ABCB11 (0.78) ABCB11CCR2MAPTLMNAMEN1
SCHEMBL7086770 0.74 ABCB11 (0.48) ABCB11CCR2MAPTLMNAHTT
SCHEMBL6780182 0.71 ABCB11 (0.66) ABCB11CCR2
SCHEMBL6780034 0.70 CCR2 (0.61) ABCB11CCR2EDNRBEDNRAMAPT
SCHEMBL7084277 0.69 ABCB11 (0.63) ABCB11CCR2PTGER1
SCHEMBL7088263 0.68 ABCB11 (0.44) ABCB11CCR2MAPTLMNAMEN1
SCHEMBL7592778 0.68 ABCB11 (0.61) ABCB11CCR2MAPTLMNAMEN1

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 1 patent. 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

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 ABCB11 391/4885CCR2 1/4885PTGDR2 455/4885

“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.