SCHEMBL14946793

SCHEMBL14946793

CCCCNC(CO)COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 0.41
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SLC6A1 P30531 2/20 0.36
▸ SLC6A11 P48066 1/20 0.36
▸ PLA2G2A P14555 2/20 0.36
▸ PLA2G10 O15496 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ PLA2G5 P39877 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
SCHEMBL15730746 0.79 KIF11 (0.43) KIF11KCNH2SLC6A1SLC6A11PLA2G2A
SCHEMBL12061903 0.78 KIF11 (0.44) KIF11HDAC3HDAC1HDAC2KCNH2
SCHEMBL7615687 0.77 KIF11 (0.45) KIF11KCNH2ALDH1A1SLC6A1SLC6A11
SCHEMBL3487683 0.77 KIF11 (0.50) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL16214813 0.77 KIF11 (0.50) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL15281845 0.76 KIF11 (0.49) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL3490250 0.76 KIF11 (0.49) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL9508740 0.76 KIF11 (0.49) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL18349848 0.76 TK1 (0.43) KIF11KCNH2SLC6A1SLC6A11PLA2G2A
SCHEMBL17359776 0.76 PLA2G2A (0.39) KIF11KCNH2SLC6A1SLC6A11PLA2G2A

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-8637658-B2 Non-fluorescent quencher compounds and biomolecular assays APPLIED BIOSYSTEMS, LLC (US) 2014-01-28 — — US disclosed
US-20130123475-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2013-05-16 — — 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-20130123475-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays DNTT, PNP, NT5C2 KIF11 4673/4885HDAC3 1654/4885HDAC1 4147/4885

“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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