SCHEMBL2349110

SCHEMBL2349110

CCCCC(=O)Cc1ccc(OC2CCCCC2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
PDE4B Q07343 7/20 0.41
PDE4D Q08499 7/20 0.41
PDE4A P27815 6/20 0.41
PDE4C Q08493 6/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RORC P51449 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL2354885 0.80 RORC (0.45) RORCALDH1A1HTT
SCHEMBL3884897 0.77 THRA (0.50) THRATHRBPDE4BPDE4DPDE4A
SCHEMBL21190896 0.77 THRA (0.49) THRATHRBPDE4BPDE4DPDE4A
SCHEMBL3689787 0.76 THRA (0.52) THRATHRBPDE4BPDE4DPDE4A
SCHEMBL3888753 0.75 THRA (0.48) THRATHRBPDE4BPDE4DPDE4A
SCHEMBL3684021 0.75 HDAC1 (0.52) THRATHRBPDE4BPDE4DPDE4A
SCHEMBL21190898 0.74 CSNK2A1 (0.48) THRATHRBPDE4BMEN1GAA
SCHEMBL21190894 0.73 BRD4 (0.51) THRATHRBPDE4BPDE4DPDE4A
SCHEMBL2353706 0.73 PDE4B (0.39) THRATHRBPDE4BPDE4DPDE4A
SCHEMBL21190899 0.72 CSNK2A1 (0.43) THRATHRBPDE4BMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 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 (3 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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 THRA 2689/4885THRB 2223/4885PDE4B 1351/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 THRA 3238/4885THRB 2912/4885PDE4B 1068/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 THRA 3238/4885THRB 2912/4885PDE4B 1068/4885

“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.