SCHEMBL6721773

SCHEMBL6721773

CCC(OCc1ccccc1OC)Oc1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
APP P05067 3/20 0.42
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
ABCB1 P08183 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL6719670 0.84 IDO1 (0.41) IDO1APPALDH1A1ABCB1TAAR1
SCHEMBL6720002 0.82 IDO1 (0.39) IDO1APPALDH1A1ABCB1TAAR1
SCHEMBL6717128 0.81 SLC6A4 (0.42) IDO1APPALDH1A1POLBABCB1
SCHEMBL6721585 0.81 IDO1 (0.38) IDO1APPALDH1A1ABCB1MAPT
SCHEMBL6717622 0.80 IDO1 (0.39) IDO1APPALDH1A1ABCB1TAAR1
SCHEMBL6728445 0.78 KDM4E (0.41) IDO1ALDH1A1POLBPARP14PARP10
SCHEMBL14208844 0.71 APLNR (0.42) ALDH1A1GAAMAPT
SCHEMBL6721777 0.69 MAPT (0.51) IDO1APPMAPTATML3MBTL1
SCHEMBL15580624 0.69 ALDH1A1 (0.43) ALDH1A1POLBABCB1MAPTL3MBTL1
SCHEMBL12936623 0.69 IDO1 (0.60) IDO1ALDH1A1ABCB1TAAR1CHRM2

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-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 IDO1 4197/4885APP 1385/4885ALDH1A1 1486/4885

“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.