SCHEMBL12804337

SCHEMBL12804337

CCOC(=O)CCCCCn1c2c(c3ccccc31)CN(C)CC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.71
HDAC1 Q13547 6/20 0.71
MAOA P21397 5/20 0.71
MAOB P27338 5/20 0.71
ACHE P22303 1/20 0.55
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL1002965 0.92 HDAC6 (0.71) HDAC6HDAC1MAOAMAOBACHE
SCHEMBL3718005 0.91 MAOA (0.62) HDAC6HDAC1MAOAMAOBACHE
SCHEMBL12804723 0.89 HDAC6 (0.77) HDAC6HDAC1MAOAMAOBACHE
SCHEMBL12805099 0.86 HDAC1 (0.67) HDAC6HDAC1MAOAMAOBCHRM2
SCHEMBL12951974 0.86 MAOA (0.79) HDAC6HDAC1MAOAMAOBACHE
SCHEMBL14067778 0.86 KDM4E (0.61) HDAC6HDAC1MAOAMAOBACHE
SCHEMBL3315061 0.83 HRH1 (0.60) HDAC6HDAC1MAOAMAOBACHE
SCHEMBL12938828 0.83 HDAC6 (0.84) HDAC6HDAC1MAOAMAOBACHE
SCHEMBL12805487 0.83 HDAC6 (1.00) HDAC6HDAC1MAOAMAOBACHE
SCHEMBL13534453 0.82 HDAC1 (0.48) HDAC6HDAC1MAOAMAOBALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456757-B1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-05-01 EP disclosed
US-8748451-B2 HDAC inhibitors and therapeutic methods of using same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-06-10 US disclosed
US-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same UNIV ILLINOIS (US) 2013-10-24 US disclosed
US-8431538-B2 HDAC inhibitors and therapeutic methods of using same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-30 US disclosed
US-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME KOZIKOWSKI ALAN (US) 2012-10-04 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 (2 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-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME HDAC1, HDAC9, HDAC5 HDAC6 7/4885HDAC1 1/4885MAOA 672/4885
US-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same HDAC1, HDAC9, HDAC5 HDAC6 7/4885HDAC1 1/4885MAOA 672/4885

“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.