SCHEMBL4351372

SCHEMBL4351372

CC(C)(C)c1ccc(Oc2cccc(CNc3ccc(F)c(F)c3O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
FFAR1 O14842 7/20 0.40
HDAC8 Q9BY41 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
FDFT1 P37268 1/20 0.38
MAPK14 Q16539 2/20 0.38
MAOB P27338 1/20 0.38
GNA15 P30679 1/20 0.37
PTGER3 P43115 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4351710 0.89 FAAH (0.42) FAAHFFAR1HDAC8KDM4EALDH1A1
SCHEMBL4356057 0.88 ALDH1A1 (0.52) FFAR1HDAC8KDM4EALDH1A1HTT
SCHEMBL4345422 0.87 FFAR1 (0.49) FFAR1HDAC8KDM4EALDH1A1HTT
SCHEMBL4344413 0.86 MEN1 (0.44) FAAHFFAR1HDAC8KDM4EALDH1A1
SCHEMBL4354230 0.83 FFAR1 (0.47) FAAHFFAR1ALDH1A1MEN1MAPT
SCHEMBL4342234 0.82 FAAH (0.42) FAAHFFAR1HDAC8KDM4EALDH1A1
SCHEMBL4353965 0.81 FAAH (0.42) FAAHFFAR1HDAC8KDM4EALDH1A1
SCHEMBL4354087 0.80 ACLY (0.43) FAAHFFAR1HDAC8KDM4EALDH1A1
SCHEMBL4349323 0.79 FFAR1 (0.48) FAAHFFAR1ALDH1A1MEN1MAPT
SCHEMBL12846780 0.77 FAAH (0.39) FAAHFFAR1HDAC8KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 FAAH 2433/4885FFAR1 736/4885HDAC8 1249/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 FAAH 2221/4885FFAR1 780/4885HDAC8 439/4885

“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.