SCHEMBL4558684

SCHEMBL4558684

CC(c1ccccc1)C1(C(N)=O)CC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.42
MAOA P21397 15/20 0.42
MAOB P27338 15/20 0.42
ALOX5 P09917 1/20 0.38
EPHX1 P07099 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37

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 0.85 KCNQ3 (0.38) KDM1AMAOAMAOBALOX5KCNQ3
SCHEMBL4558507 0.82 KCNQ3 (0.40) KDM1AEPHX1KCNQ3KCNQ2KCNQ4
SCHEMBL28046467 0.81 ALOX5 (0.40) ALOX5EPHX1
SCHEMBL21438985 0.76 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL4862021 0.72 KMT2A (0.39) EPHX1KCNQ3KCNQ2
SCHEMBL15542258 0.70 KDM1A (0.55) KDM1AMAOAMAOB
SCHEMBL15541944 0.70 KDM1A (0.55) KDM1AMAOAMAOB
SCHEMBL27932361 0.70 ALOX5 (0.44) ALOX5
SCHEMBL28318116 0.70 ALOX5 (0.44) ALOX5
SCHEMBL6623618 0.70 KDM1A (0.55) KDM1AMAOAMAOB

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 KDM1A 29/4885MAOA 207/4885MAOB 183/4885

“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.