SCHEMBL13744801

SCHEMBL13744801

COc1cc2c(C(=O)O)cc3ccccc3c2c(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 2/20 0.57
NPSR1 Q6W5P4 1/20 0.49
PDE10A Q9Y233 1/20 0.46
CDC25B P30305 3/20 0.46
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.43
DHODH Q02127 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43

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
SCHEMBL12507245 0.84 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL28819992 0.80 SLC16A3 (0.48) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4601466 0.79 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL10584881 0.77 KDM4E (0.77) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL7674128 0.77 CDC25B (0.54) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL25295170 0.75 HPGD (0.55) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL6604960 0.75 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL2780177 0.75 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL3117234 0.75 HPGD (0.55) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL5615708 0.75 KDM4E (0.63) ALDH1A1KDM4EHPGDHSD17B10NPSR1

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-20090215908-A1 TOLL LIKE RECEPTOR (TLR) SIGNALING ANTAGONIST RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-08-27 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-20090215908-A1 TOLL LIKE RECEPTOR (TLR) SIGNALING ANTAGONIST TLR4, TLR5, TLR1 ALDH1A1 4541/4885KDM4E 1354/4885HPGD 3892/4885

“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.