SCHEMBL4558968

SCHEMBL4558968

CCN(C(=O)CCCCc1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.62
MLYCD O95822 1/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 1/20 0.55
GLA P06280 1/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
TP53 P04637 1/20 0.53
KDM4A O75164 1/20 0.52
KDM5A P29375 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
PHF8 Q9UPP1 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
LTB4R2 Q9NPC1 2/20 0.49
ADRA1A P35348 2/20 0.49
SLC6A3 Q01959 2/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL4558654 0.95 MLYCD (0.58) ALOX5MLYCDALDH1A1SMN1; SMN2HPGD
SCHEMBL4161430 0.89 MLYCD (0.68) ALOX5MLYCDALDH1A1SMN1; SMN2HPGD
SCHEMBL1114818 0.85 ALDH1A1 (0.59) MLYCDALDH1A1SMN1; SMN2GLATSHR
SCHEMBL1114803 0.84 ALDH1A1 (0.58) MLYCDALDH1A1SMN1; SMN2GLATSHR
SCHEMBL1115056 0.84 ALDH1A1 (0.58) MLYCDALDH1A1SMN1; SMN2GLATSHR
SCHEMBL11518360 0.84 TP53 (0.60) ALDH1A1SMN1; SMN2GLATSHRTP53
SCHEMBL17439411 0.84 TP53 (0.60) ALDH1A1SMN1; SMN2GLATSHRTP53
SCHEMBL12679891 0.84 ALDH1A1 (0.58) MLYCDALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL17333743 0.83 TP53 (0.64) ALDH1A1SMN1; SMN2GLATSHRTP53
SCHEMBL12679904 0.83 ALDH1A1 (0.56) MLYCDALDH1A1SMN1; SMN2HPGDGLA

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 ALOX5 2866/4885MLYCD 3261/4885ALDH1A1 532/4885

“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.