SCHEMBL10108013

SCHEMBL10108013

CCOC(=O)CCCCNc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
TOP2A P11388 3/20 0.59
NAMPT P43490 1/20 0.53
LTA4H P09960 3/20 0.53
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
PDE5A O76074 1/20 0.52
ELANE P08246 1/20 0.52
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
GAA P10253 1/20 0.47
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8705157 0.98 ALDH1A1 (0.68) ALDH1A1TOP2ANAMPTLTA4HCYP4F2
SCHEMBL11404787 0.98 ALDH1A1 (0.68) ALDH1A1TOP2ANAMPTLTA4HCYP4F2
SCHEMBL5009825 0.95 TOP2A (0.64) ALDH1A1TOP2ANAMPTLTA4HCYP4F2
SCHEMBL537869 0.89 TOP2A (0.62) ALDH1A1TOP2ALTA4HCYP4F2CYP4A11
Hydrochloric Acid SCHEMBL7130173 0.87 TOP2A (0.61) ALDH1A1TOP2ALTA4HCYP4F2CYP4A11
SCHEMBL11324004 0.87 TOP2A (0.59) ALDH1A1TOP2ANAMPTLTA4HCYP4F2
SCHEMBL7714032 0.85 ALDH1A1 (0.56) ALDH1A1TOP2ANAMPTLTA4HCYP4F2
SCHEMBL380632 0.85 ALDH1A1 (0.53) ALDH1A1TOP2ANAMPTLTA4HPDE5A
SCHEMBL10107952 0.85 ALDH1A1 (0.52) ALDH1A1TOP2ANAMPTLTA4HCYP4F2
SCHEMBL1472555 0.84 LMNA (0.66) ALDH1A1LMNAMAPTHDAC3HDAC1

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-8466161-B2 Hydroxamate derivative, a production method for the same, and a pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-06-18 US disclosed
US-20120028963-A1 NOVEL HYDROXAMATE DERIVATIVE, A PRODUCTION METHOD FOR THE SAME, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2012-02-02 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-20120028963-A1 NOVEL HYDROXAMATE DERIVATIVE, A PRODUCTION METHOD FOR THE SAME, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HAAO, HPD, HCAR2 ALDH1A1 910/4885TOP2A 2264/4885NAMPT 45/4885

“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.