SCHEMBL4558507

SCHEMBL4558507

CC(c1ccccc1)C1(C(N)=O)CCCCC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KMT2A Q03164 2/20 0.38
LMNA P02545 3/20 0.36
EPHX1 P07099 2/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.36
KDM1A O60341 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ATM Q13315 1/20 0.34
OPRL1 P41146 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4560516 0.91 KCNQ3 (0.38) KCNQ3KCNQ2KMT2ALMNAHPGD
SCHEMBL4862021 0.84 KMT2A (0.39) KCNQ3KCNQ2KMT2ALMNAEPHX1
SCHEMBL4558684 0.82 KDM1A (0.42) KCNQ3KCNQ2EPHX1KCNQ4KCNQ5
SCHEMBL28046467 0.73 ALOX5 (0.40) KMT2ALMNAEPHX1HPGDCYP3A4
SCHEMBL19817374 0.72 KDM1A (0.38) KDM1AMAPK1
SCHEMBL517632 0.71 ALOX5 (0.41) KMT2ALMNAEPHX1HPGDRECQL
SCHEMBL10962709 0.71 SLC6A3 (0.37) KCNQ3KCNQ2LMNAEPHX1HPGD
SCHEMBL32690457 0.70 KDM1A (0.44) LMNACYP3A4KDM1A
SCHEMBL11835884 0.70 SLC18A3 (0.38) KCNQ3KCNQ2LMNAEPHX1HPGD
Phosphoric Acid SCHEMBL3680815 0.69 CHRM1 (0.38) CYP2C19KDM1AMAPK1

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 KCNQ3 2900/4885KCNQ2 2183/4885KMT2A 58/4885

“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.