SCHEMBL20979880

SCHEMBL20979880

O=C(O)CCCC(=O)Nn1cnc2cncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ LMNA P02545 2/20 0.39
▸ FDPS P14324 1/20 0.39
▸ HTT P42858 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EGFR P00533 2/20 0.36
▸ ERBB3 P21860 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 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
SCHEMBL20979882 0.92 HDAC1 (0.43) HDAC1HDAC6LMNAFDPSALOX15
SCHEMBL11904869 0.86 LMNA (0.55) HDAC1HDAC6LMNAFDPSHTT
SCHEMBL5196533 0.85 LMNA (0.57) HDAC1HDAC6LMNAHTTALDH1A1
SCHEMBL10774226 0.71 FDPS (0.41) HDAC1HDAC6LMNAFDPSALDH1A1
SCHEMBL3421967 0.70 FDPS (0.46) HDAC1HDAC6LMNAFDPSALDH1A1
SCHEMBL10644628 0.69 KMT2A (0.44) HDAC1HDAC6LMNAHTTALOX15
SCHEMBL1692456 0.68 FDPS (0.56) HDAC1HDAC6LMNAFDPSEGFR
SCHEMBL2429098 0.67 CYP1A2 (0.41) HDAC1HDAC6LMNAFDPSALOX15
SCHEMBL5828209 0.67 FDPS (0.40) HDAC1HDAC6LMNAFDPSEGFR
SCHEMBL9356692 0.67 FDPS (0.40) HDAC1HDAC6LMNAFDPSALDH1A1

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-10294260-B2 Tetracyclic anthraquinone derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2019-05-21 — — US disclosed
CN-104125962-A Tetracyclic anthraquinone derivatives TIANJIN HEMAY BIO TECH CO LTD 2014-10-29 — — CN 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-10294260-B2 Tetracyclic anthraquinone derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12, ANTXR2 HDAC1 105/4885HDAC6 311/4885LMNA 2851/4885

“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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