SCHEMBL1002948

SCHEMBL1002948

COC(=O)CCCCn1c2ccccc2c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.67
FABP5 Q01469 3/20 0.67
HDAC6 Q9UBN7 5/20 0.66
HDAC1 Q13547 4/20 0.66
CNR2 P34972 2/20 0.60
PSEN1 P49768 2/20 0.57
PSEN2 P49810 2/20 0.57
APH1B Q8WW43 2/20 0.57
NCSTN Q92542 2/20 0.57
APH1A Q96BI3 2/20 0.57
PSENEN Q9NZ42 2/20 0.57
FABP3 P05413 1/20 0.54
KDM4E B2RXH2 2/20 0.53
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
CTNNB1 P35222 1/20 0.49
FAAH O00519 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 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
SCHEMBL1004258 0.89 FABP4 (0.64) FABP4FABP5HDAC6HDAC1CNR2
SCHEMBL31367787 0.89 FABP4 (0.64) FABP4FABP5HDAC6HDAC1CNR2
SCHEMBL12938925 0.85 TNF (0.64) FABP4FABP5HDAC6HDAC1CNR2
SCHEMBL8168337 0.84 CNR2 (0.54) FABP4FABP5HDAC6HDAC1CNR2
SCHEMBL1004476 0.84 TNF (0.63) FABP4FABP5HDAC6HDAC1CNR2
SCHEMBL1004093 0.84 TNF (0.63) FABP4FABP5HDAC6HDAC1CNR2
SCHEMBL11516177 0.83 KDM4E (0.54) FABP4FABP5HDAC6HDAC1CNR2
SCHEMBL11514227 0.83 KDM4E (0.54) FABP4FABP5HDAC6HDAC1CNR2
SCHEMBL5579714 0.83 HDAC1 (0.49) FABP4FABP5HDAC6HDAC1CNR2
SCHEMBL12938804 0.82 FABP4 (0.73) FABP4FABP5HDAC6HDAC1CNR2

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 7 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
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

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 FABP4 3757/4885FABP5 2195/4885HDAC6 7/4885
US-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same HDAC1, HDAC9, HDAC5 FABP4 3757/4885FABP5 2195/4885HDAC6 7/4885

“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.