SCHEMBL15711781

SCHEMBL15711781

COc1cccc(CO)c1-c1ccccc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.40
▸ PDCD1 Q15116 2/20 0.40
▸ CD274 Q9NZQ7 2/20 0.40
▸ IDH1 O75874 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TOP1 P11387 1/20 0.37
▸ ELANE P08246 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ USP2 O75604 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
SCHEMBL18315874 0.84 APP (0.47) PDK2PDCD1CD274IDH1MEN1
SCHEMBL12737112 0.84 TOP1 (0.46) PDK2MEN1KMT2ACA1CA2
SCHEMBL16572260 0.80 PDCD1 (0.47) PDK2PDCD1CD274IDH1MEN1
SCHEMBL12808219 0.80 MEN1 (0.44) PDK2PDCD1CD274IDH1MEN1
SCHEMBL22227385 0.78 GABRA1 (0.42) PDK2MEN1KMT2ACA1CA2
SCHEMBL14124477 0.76 PDCD1 (0.51) PDCD1CD274MEN1KMT2ACA1
SCHEMBL31134187 0.75 ERN1 (0.50) PDCD1CD274MEN1KMT2ACA1
SCHEMBL14605308 0.75 MCL1 (0.35) PDCD1CD274ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14134329 0.73 CD274 (0.40) PDCD1CD274MEN1KMT2ACA1
SCHEMBL12203538 0.73 APP (0.48) CA1CA2CA7CA9ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816112-B2 Process for making novel chiral phosphorus ligands BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-26 — — US disclosed
US-20140135506-A1 PROCESS FOR MAKING NOVEL CHIRAL PHOSPHORUS LIGANDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-15 — — 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-20140135506-A1 PROCESS FOR MAKING NOVEL CHIRAL PHOSPHORUS LIGANDS PHOSPHO1, INPP5B, PLCG2 PDK2 1824/4885PDCD1 1298/4885CD274 488/4885

“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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