SCHEMBL12061903

SCHEMBL12061903

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.44
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL14946793 0.78 KIF11 (0.41) KIF11HDAC3HDAC1HDAC2KCNH2
SCHEMBL12075610 0.74 HDAC3 (0.44) KIF11HDAC3HDAC1HDAC2KCNH2
SCHEMBL18409776 0.74 KCNN4 (0.49) KIF11HDAC3HDAC1HDAC2KCNH2
SCHEMBL3496480 0.73 KIF11 (0.54) KIF11KCNH2KMT2ALMNAHTT
SCHEMBL15517407 0.69 KIF11 (0.56) KIF11KCNH2MEN1KMT2ALMNA
Anisole SCHEMBL9360868 0.69 CA4 (0.58) HDAC3HDAC1HDAC2KCNH2ALDH1A1
SCHEMBL10877618 0.68 KIF11 (0.73) KIF11KCNH2ALDH1A1MEN1KMT2A
SCHEMBL18902445 0.68 KIF11 (0.47) KIF11KCNH2ALDH1A1KMT2ALMNA
SCHEMBL7706703 0.68 KIF11 (0.73) KIF11KCNH2ALDH1A1MEN1KMT2A
SCHEMBL8403280 0.68 KIF11 (0.48) KIF11KCNH2MEN1KMT2ALMNA

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-20120220751-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2012-08-30 — — US disclosed
US-20110245462-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2011-10-06 — — 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 (2 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-20110245462-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays DNTT, PNP, NT5C2 KIF11 4673/4885HDAC3 1654/4885HDAC1 4147/4885
US-20120220751-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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