SCHEMBL11892327

SCHEMBL11892327

COC(=O)c1cc(NC(=O)CCCCCCC(=O)NO)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 18/20 0.66
▸ HDAC1 Q13547 18/20 0.66
▸ HDAC2 Q92769 18/20 0.66
▸ HDAC6 Q9UBN7 18/20 0.66
▸ HDAC10 Q969S8 17/20 0.66
▸ HDAC11 Q96DB2 17/20 0.66
▸ HDAC8 Q9BY41 17/20 0.66
▸ HDAC4 P56524 15/20 0.66
▸ HDAC7 Q8WUI4 15/20 0.66
▸ HDAC9 Q9UKV0 15/20 0.66
▸ HDAC5 Q9UQL6 15/20 0.66
▸ EGFR P00533 9/20 0.66
▸ NCOR2 Q9Y618 2/20 0.56
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL11892329 0.90 EGFR (0.56) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL11195217 0.90 KMT2A (0.56) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL10499445 0.88 KMT2A (0.52) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL11892312 0.85 HDAC1 (0.74) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL10602106 0.83 CNR1 (0.66) KMT2A
SCHEMBL6871770 0.82 HDAC1 (0.65) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL1822139 0.79 KMT2A (0.59) EGFRKMT2A
SCHEMBL1577697 0.79 HDAC1 (0.71) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL2678367 0.77 CNR1 (0.74) KMT2A
SCHEMBL2678363 0.77 CNR1 (0.74) KMT2A

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-8901337-B2 Metal complexes having dual histone deacetylase inhibitory and DNA-binding activity ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2014-12-02 — — US disclosed
US-20120190874-A1 METAL COMPLEXES HAVING DUAL HISTONE DEACETYLASE INHIBITORY AND DNA-BINDING ACTIVITY ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-07-26 — — 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-20120190874-A1 METAL COMPLEXES HAVING DUAL HISTONE DEACETYLASE INHIBITORY AND DNA-BINDING ACTIVITY HDAC1, HDAC9, HDAC2 HDAC3 7/4885HDAC1 1/4885HDAC2 3/4885

“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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