SCHEMBL4833876

SCHEMBL4833876

COC(=O)c1ccc(OCCCO/N=C/c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
NR1H4 Q96RI1 2/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
ELANE P08246 1/20 0.43
PRTN3 P24158 1/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
MCHR1 Q99705 1/20 0.42
PLK1 P53350 1/20 0.40
IGF2BP2 Q9Y6M1 1/20 0.40

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
SCHEMBL4833885 1.00 ALDH1A1 (0.44) ALDH1A1NR1H4PPARGPPARDGPBAR1
SCHEMBL4833858 0.93 PLK1 (0.47) ALDH1A1NR1H4PPARGPPARDGPBAR1
SCHEMBL4833874 0.93 PLK1 (0.47) ALDH1A1NR1H4PPARGPPARDGPBAR1
SCHEMBL4833859 0.91 ALDH1A1 (0.43) ALDH1A1NR1H4PPARGPPARDGPBAR1
SCHEMBL4833851 0.91 ALDH1A1 (0.43) ALDH1A1NR1H4PPARGPPARDGPBAR1
SCHEMBL4836420 0.91 IGF2BP2 (0.49) ALDH1A1HDAC1HDAC2ELANEPRTN3
SCHEMBL4836430 0.91 IGF2BP2 (0.49) ALDH1A1HDAC1HDAC2ELANEPRTN3
SCHEMBL4828886 0.90 TRPV1 (0.46) ALDH1A1HDAC1HDAC2MAPTKDM4E
SCHEMBL4828878 0.90 TRPV1 (0.46) ALDH1A1HDAC1HDAC2MAPTKDM4E
SCHEMBL4828867 0.90 TRPV1 (0.46) ALDH1A1HDAC1HDAC2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 ALDH1A1 269/4885NR1H4 1826/4885PPARG 610/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 ALDH1A1 211/4885NR1H4 2004/4885PPARG 631/4885

“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.