SCHEMBL1004093

SCHEMBL1004093

CCOC(=O)CCCCCn1c2ccccc2c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.63
PSEN1 P49768 1/20 0.62
PSEN2 P49810 1/20 0.62
APH1B Q8WW43 1/20 0.62
NCSTN Q92542 1/20 0.62
APH1A Q96BI3 1/20 0.62
PSENEN Q9NZ42 1/20 0.62
FABP4 P15090 2/20 0.61
FABP5 Q01469 2/20 0.61
HDAC1 Q13547 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
CTNNB1 P35222 1/20 0.58
CNR1 P21554 1/20 0.55
FNTA P49354 1/20 0.55
FNTB P49356 1/20 0.55
KDM4E B2RXH2 1/20 0.54
CNR2 P34972 3/20 0.54
FAAH O00519 2/20 0.54
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL1004476 1.00 TNF (0.63) TNFPSEN1PSEN2APH1BNCSTN
SCHEMBL12938925 0.99 TNF (0.64) TNFPSEN1PSEN2APH1BNCSTN
SCHEMBL355499 0.93 TNF (0.62) TNFPSEN1PSEN2APH1BNCSTN
SCHEMBL1128275 0.88 FNTA (0.68) TNFPSEN1PSEN2APH1BNCSTN
SCHEMBL354741 0.84 TNF (0.53) TNFPSEN1PSEN2APH1BNCSTN
SCHEMBL355330 0.84 TNF (0.53) TNFPSEN1PSEN2APH1BNCSTN
SCHEMBL354801 0.84 RXFP1 (0.55) TNFPSEN1PSEN2APH1BNCSTN
SCHEMBL1002948 0.84 FABP4 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7649768 0.83 TNF (0.70) TNFPSEN1PSEN2APH1BNCSTN
SCHEMBL12805099 0.83 HDAC1 (0.67) TNFHDAC1HDAC6KDM4EALDH1A1

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 17 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
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-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-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-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same UNIV ILLINOIS (US) 2013-10-24 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-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-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
US-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME KOZIKOWSKI ALAN (US) 2012-10-04 US disclosed
US-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME KOZIKOWSKI ALAN (US) 2012-10-04 US disclosed
EP-2456757-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Board of Trustees of the University of Illinois (US) 2012-05-30 EP disclosed
WO-2011011186-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-01-27 WO disclosed
WO-2011011186-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-01-27 WO 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 TNF 3029/4885PSEN1 1509/4885PSEN2 1795/4885
US-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same HDAC1, HDAC9, HDAC5 TNF 3029/4885PSEN1 1509/4885PSEN2 1795/4885

“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.