SCHEMBL4568586

SCHEMBL4568586

COc1cccc(-c2[nH]c3cc(C4CC4)ccc3c2Cc2cccc(C(=O)O)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
DHODH Q02127 2/20 0.40
CHRM4 P08173 2/20 0.39
DRD2 P14416 2/20 0.39
HTR7 P34969 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MAPT P10636 1/20 0.38
PIN1 Q13526 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SERPINE1 P05121 1/20 0.37

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
SCHEMBL4568475 0.92 TLR9 (0.45) TLR9TLR7CHRM4DRD2HTR7
SCHEMBL3704461 0.89 GPR17 (0.44) CHRM4DRD2HTR7MTNR1AMTNR1B
SCHEMBL3708601 0.89 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL4568539 0.86 TUBB4A (0.48)
SCHEMBL4568428 0.85 TLR9 (0.41) TLR9TLR7MTNR1AMTNR1B
SCHEMBL3702535 0.84 TUBB4A (0.48) HTR7MTNR1AMTNR1BMAPTALDH1A1
SCHEMBL3706080 0.84 TLR9 (0.42) TLR9TLR7MTNR1AMTNR1B
SCHEMBL3712365 0.84 CNR2 (0.37)
SCHEMBL4568211 0.83 PTGS2 (0.44) MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL11978670 0.83 DGAT1 (0.41) TLR9TLR7MTNR1AMTNR1B

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R TLR9 1840/4885TLR7 1083/4885DHODH 3731/4885

“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.