SCHEMBL6505515

SCHEMBL6505515

CCN(CCCN)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 5/20 0.60
▸ TSHR P16473 2/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ MAPK1 P28482 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ CALM1 P0DP23 1/20 0.45
▸ CAMKK2 Q96RR4 1/20 0.45
▸ EPOR P19235 1/20 0.44
▸ PTGES O14684 1/20 0.44

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
Hydrochloric Acid SCHEMBL6500033 0.85 ACHE (0.54) BCHETSHRHSD17B10MAPK1ALDH1A1
SCHEMBL3322548 0.82 KCNH2 (0.56) BCHEKDM4EACHE
SCHEMBL4367270 0.81 ACHE (0.60) BCHETSHRMAPK1ACHECALM1
Hydrochloric Acid SCHEMBL31687479 0.81 KCNH2 (0.55) BCHEKDM4EACHE
SCHEMBL6505492 0.81 TSHR (0.58) BCHETSHRHSD17B10MAPK1KDM4E
SCHEMBL11705881 0.78 TSHR (0.57) BCHETSHRHSD17B10MAPK1KDM4E
SCHEMBL5947410 0.78 BCHE (0.62) BCHETSHRHSD17B10MAPK1KDM4E
SCHEMBL10683775 0.77 BCHE (0.58) BCHETSHRMAPK1KDM4E
SCHEMBL11454505 0.77 TAAR1 (0.57) BCHETSHRMAPK1ACHECALM1
SCHEMBL15702639 0.76 TSHR (0.60) BCHETSHRHSD17B10KDM4EALDH1A1

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 BCHE 945/4885TSHR 3179/4885HSD17B10 1726/4885

“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.

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