SCHEMBL18384645

SCHEMBL18384645

COC(=O)c1cc2c(OC)c3cnccc3c(OC)c2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GLA P06280 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ NCOA1 Q15788 2/20 0.40
▸ NCOA3 Q9Y6Q9 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ PDE4A P27815 4/20 0.40
▸ PDE4B Q07343 4/20 0.40
▸ PDE4C Q08493 4/20 0.40
▸ PDE4D Q08499 4/20 0.40
▸ CSNK2A1 P68400 3/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ MAOA P21397 2/20 0.37
▸ ROCK2 O75116 1/20 0.36

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
SCHEMBL18384644 0.88 PDE4A (0.42) KDM4EALDH1A1NCOA1NCOA3HPGD
SCHEMBL18384660 0.88 PDE4A (0.47) KDM4EALDH1A1GLAGAANCOA1
SCHEMBL18384647 0.88 PDE4A (0.47) KDM4EALDH1A1GLAGAANCOA1
SCHEMBL18384657 0.88 PDE4A (0.42) KDM4EALDH1A1NCOA1NCOA3HPGD
SCHEMBL18384650 0.81 ROCK2 (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL18384648 0.79 TSHR (0.44) ALDH1A1GLAHPGDMAPT
SCHEMBL18384661 0.79 TSHR (0.44) ALDH1A1GLAHPGDMAPT
SCHEMBL18384651 0.76 PDE4A (0.40) KDM4EALDH1A1NCOA1NCOA3HTT
SCHEMBL18384664 0.76 PDE4A (0.40) KDM4EALDH1A1NCOA1NCOA3HTT
SCHEMBL18384632 0.76 KDM4E (0.44) KDM4EALDH1A1GAANCOA1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934309-B2 Tricyclic quinone derivative SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-03-02 — — US disclosed
US-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. 2019-08-08 — — US disclosed
EP-3127907-A1 NEW TRICYCLIC QUINONE DERIVATIVE Boston Biomedical, Inc. (US) 2017-02-08 — — EP disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 — — US disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 — — 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 (3 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-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 KDM4E 2727/4885ALDH1A1 143/4885GLA 2612/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 KDM4E 2727/4885ALDH1A1 143/4885GLA 2612/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR KDM4E 2785/4885ALDH1A1 154/4885GLA 2459/4885

“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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