SCHEMBL6580803

SCHEMBL6580803

COCCOC(=O)OC(C)I

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
XIAP P98170 1/20 0.30
KMT2A Q03164 1/20 0.30
PLEC Q15149 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL6938800 0.94 TSHR (0.34) TSHRMEN1ALDH1A1KMT2ACA2
SCHEMBL6894066 0.81 HCAR2 (0.36) TSHRALDH1A1
SCHEMBL6895063 0.79 CA1 (0.41) KDM4EALDH1A1GAAKMT2ACA12
SCHEMBL20243323 0.79 TSHR (0.37) TSHRCA12CA1CA2CA9
SCHEMBL3236904 0.79 TSHR (0.37) TSHRCA12CA1CA2CA9
SCHEMBL17473201 0.79 TSHR (0.37) TSHRCA12CA1CA2CA9
SCHEMBL19106187 0.78 TSHR (0.36) TSHR
SCHEMBL6890550 0.78 ALDH1A1 (0.48) TSHRALDH1A1HPGD
SCHEMBL577006 0.77
SCHEMBL302273 0.77 TSHR (0.48) TSHRKDM4EMEN1ALDH1A1POLB

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-20040248941-A1 Benzimidazone compound, process for producing the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-09 US disclosed
EP-1437352-A1 BENZIMIDAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040248941-A1 Benzimidazone compound, process for producing the same, and use thereof SI, MLNR, FABP2 TSHR 1588/4885KDM4E 755/4885MEN1 1712/4885

“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.