SCHEMBL20723949

SCHEMBL20723949

Cc1cccc(COCc2ccc(CO)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.55
▸ MAOB P27338 5/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ AR P10275 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ ACHE P22303 1/20 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
SCHEMBL9842152 0.91 IDO1 (0.64) IDO1MAOBKCNH2EGLN1TSHR
SCHEMBL12266469 0.87 IDO1 (0.60) IDO1MAOBKCNH2EGLN1RAB9A
SCHEMBL6667381 0.87 IDO1 (0.69) IDO1MAOBKCNH2EGLN1TSHR
SCHEMBL9283193 0.85 TSHR (0.62) IDO1MAOBKCNH2TSHRAR
Hydroquinone SCHEMBL10866249 0.83 IDO1 (0.60) IDO1MAOBEGLN1TSHRAR
SCHEMBL13170339 0.83 IDO1 (0.60) IDO1MAOBCHRM3ARTAAR1
SCHEMBL14437517 0.83 MAOB (0.66) IDO1MAOBMAOAACHE
SCHEMBL30398600 0.83 MAOB (0.66) IDO1MAOBMAOAACHE
SCHEMBL8589839 0.81 IDO1 (0.50) IDO1MAOBEGLN1CHRM3TSHR
SCHEMBL10735 0.80 — —

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-10201614-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. 2019-02-12 — — 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-10201614-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, CCNB2 IDO1 3268/4885MAOB 3101/4885KCNH2 3925/4885

“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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