SCHEMBL18384657

SCHEMBL18384657

COc1c2ccncc2c(OC)c2oc(C(=O)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.42
▸ PDE4B Q07343 3/20 0.42
▸ PDE4C Q08493 3/20 0.42
▸ PDE4D Q08499 3/20 0.42
▸ MAOA P21397 2/20 0.38
▸ PIM1 P11309 4/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PIM2 Q9P1W9 3/20 0.36
▸ CSNK2A2 P19784 2/20 0.36
▸ CSNK2B P67870 2/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ GPR35 Q9HC97 3/20 0.35
▸ GPR55 Q9Y2T6 2/20 0.35

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 1.00 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL18384660 0.90 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL18384647 0.90 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL18384645 0.88 KDM4E (0.40) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL18384661 0.81 TSHR (0.44) ALDH1A1HPGDMAPTNPSR1
SCHEMBL18384648 0.81 TSHR (0.44) ALDH1A1HPGDMAPTNPSR1
SCHEMBL18384650 0.80 ROCK2 (0.38) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL18384664 0.77 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL18384651 0.77 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL18384638 0.75 KDM4E (0.41) PDE4APDE4BPDE4CPDE4DPIM1

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 PDE4A 3952/4885PDE4B 3741/4885PDE4C 3940/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 PDE4A 3952/4885PDE4B 3741/4885PDE4C 3940/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR PDE4A 4234/4885PDE4B 4106/4885PDE4C 4295/4885

“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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