SCHEMBL4351638

SCHEMBL4351638

CC(C)Nc1cc(Cl)cc(COc2c(Br)cc(/C=C/C(=O)O)cc2Br)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
AKR1C3 P42330 5/20 0.34
AKR1C4 P17516 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 1/20 0.34
HPGD P15428 1/20 0.34
HTR2C P28335 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AKR1C2 P52895 3/20 0.34
FOXO1 Q12778 2/20 0.33
APP P05067 1/20 0.33
MET P08581 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
GCK P35557 1/20 0.33
RECQL P46063 2/20 0.33
MAPK1 P28482 1/20 0.33
AKR1C1 Q04828 1/20 0.32
GCGR P47871 1/20 0.32

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
SCHEMBL4351645 1.00 KDM4E (0.38) KDM4EGAAAKR1C3AKR1C4ALDH1A1
SCHEMBL4348547 0.86 KDM4E (0.39) KDM4EGAAAKR1C3AKR1C4ALDH1A1
SCHEMBL4348539 0.86 KDM4E (0.39) KDM4EGAAAKR1C3AKR1C4ALDH1A1
SCHEMBL4345980 0.83 KDM4E (0.36) KDM4EGAAFOXO1APPPLA2G1B
SCHEMBL4345974 0.83 KDM4E (0.36) KDM4EGAAFOXO1APPPLA2G1B
SCHEMBL5717904 0.81 DDR1 (0.31) AKR1C3AKR1C4
SCHEMBL5717909 0.81 DDR1 (0.31) AKR1C3AKR1C4
SCHEMBL4929308 0.80 KDM4E (0.40) KDM4EGAAAKR1C3ALDH1A1HTR1A
SCHEMBL4929295 0.80 KDM4E (0.40) KDM4EGAAAKR1C3ALDH1A1HTR1A
SCHEMBL4349944 0.80 THRA (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed
US-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 US disclosed
EP-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 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 (1 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA KDM4E 1703/4885GAA 4551/4885AKR1C3 526/4885

“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.