SCHEMBL4149113

SCHEMBL4149113

CC1(C)COc2cc(I)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
KDM4E B2RXH2 9/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GSK3B P49841 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
TOP2A P11388 3/20 0.35
TOP2B Q02880 3/20 0.35
ALB P02768 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AADAT Q8N5Z0 2/20 0.32
TUBB4A P04350 1/20 0.32
POLB P06746 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
SCHEMBL4879938 0.79 CNR1 (0.41) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL2191820 0.75 GSK3B (0.46) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL6724270 0.75 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL30542771 0.74 KDM4E (0.44) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL4154463 0.74 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4144519 0.74 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL10572613 0.70 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL10571988 0.70 KDM4E (0.44) CNR1CNR2KDM4EALDH1A1HPGD
Water SCHEMBL30542455 0.69 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10KMT2A
Water SCHEMBL29055999 0.69 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10KMT2A

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 1 patent. 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

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 CNR1 4362/4885CNR2 4651/4885KDM4E 4180/4885

“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.