SCHEMBL6500894

SCHEMBL6500894

COc1ccc(C)cc1Oc1cccc(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.56
ALDH1A1 P00352 7/20 0.51
TSHR P16473 1/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
ACHE P22303 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
NQO2 P16083 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
AR P10275 2/20 0.45
AOX1 Q06278 1/20 0.44
FDPS P14324 1/20 0.42
SRC P12931 1/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL21328349 0.89 TTR (0.69) TTRALDH1A1TSHRLMNAMAPT
SCHEMBL19243059 0.85 MAOA (0.50) TTRALDH1A1MAOAMAOBLMNA
SCHEMBL2075852 0.84 TTR (0.67) TTRALDH1A1TSHRMAOAMAOB
SCHEMBL29862575 0.82 TTR (0.73) TTRALDH1A1TSHRMAOAMAOB
SCHEMBL9889483 0.82 TTR (0.73) TTRALDH1A1TSHRMAOAMAOB
SCHEMBL31070290 0.80 ALDH1A1 (0.66) TTRALDH1A1TSHRLMNAMAPT
SCHEMBL30644969 0.79 MAOA (0.62) ALDH1A1MAOAMAOBACHELMNA
SCHEMBL1745573 0.79 MAOA (0.62) ALDH1A1MAOAMAOBACHELMNA
SCHEMBL5344907 0.79 AR (0.52) TTRALDH1A1MAOAMAOBLMNA
SCHEMBL6504142 0.78 ALDH1A1 (0.56) TTRALDH1A1TSHRMAOAMAOB

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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 TTR 4487/4885ALDH1A1 1071/4885TSHR 3179/4885

“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.