SCHEMBL4154022

SCHEMBL4154022

CC(C)n1cc(C(=O)O)c(=O)c2cc(I)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
PTPN1 P18031 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL28569830 0.88 MAP2K2 (0.37) KDM4EPTPN1MEN1KMT2ACNR1
SCHEMBL4158355 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL4141571 0.87 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL3004233 0.87 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL2990529 0.85 METTL3 (0.50) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL3008256 0.83 PTPN1 (0.39) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL27833184 0.83 PTPN1 (0.41) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL27833196 0.83 PTPN1 (0.41) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL27833174 0.83 PTPN1 (0.41) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL3003159 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10RAB9A

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
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
EP-1945652-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007054296-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2007-05-18 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-20090170791-A1 MACROLONES CYP51A1, MRPL21, LSS KDM4E 4180/4885ALDH1A1 3645/4885HPGD 2439/4885

“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.