SCHEMBL18384691

SCHEMBL18384691

COc1c2cc(C(=O)O)sc2c(OC)c2cc(C(=O)N3CCOCC3)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HPGD P15428 6/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
FABP6 P51161 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 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
SCHEMBL18384681 0.96 TSHR (0.44) TSHRHPGDNPSR1ALDH1A1KDM4E
SCHEMBL18391650 0.93 TSHR (0.44) TSHRHPGDNPSR1ALDH1A1KDM4E
SCHEMBL18384697 0.92 TSHR (0.44) TSHRHPGDNPSR1ALDH1A1KDM4E
SCHEMBL18391660 0.88 TSHR (0.44) TSHRHPGDNPSR1ALDH1A1KDM4E
SCHEMBL18384679 0.87 TSHR (0.44) TSHRHPGDNPSR1ALDH1A1KDM4E
SCHEMBL18384693 0.81 TSHR (0.46) TSHRHPGDNPSR1ALDH1A1KDM4E
SCHEMBL18473671 0.80 TSHR (0.44) TSHRHPGDNPSR1ALDH1A1KDM4E
SCHEMBL18384678 0.76 TSHR (0.46) TSHRHPGDNPSR1ALDH1A1KDM4E
SCHEMBL18384661 0.74 TSHR (0.44) TSHRHPGDNPSR1ALDH1A1FABP6
SCHEMBL18384648 0.74 TSHR (0.44) TSHRHPGDNPSR1ALDH1A1FABP6

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 7 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-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
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 TSHR 2047/4885HPGD 422/4885NPSR1 964/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 TSHR 2047/4885HPGD 422/4885NPSR1 964/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR TSHR 2094/4885HPGD 440/4885NPSR1 971/4885

“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.