SCHEMBL3972878

SCHEMBL3972878

COc1cc(C=O)c(-c2ccc(OC)c(OCc3ccccc3)c2C=O)c(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.46
TUBB1 Q9H4B7 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
BCHE P06276 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39

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
SCHEMBL3971633 0.84 HDAC8 (0.54) ERN1TUBB1HDAC8MAPTNPC1
SCHEMBL3970773 0.83 BCHE (0.50) ERN1BCHEMEN1KMT2AMAPT
SCHEMBL13752645 0.81 ALDH1A1 (0.41) ERN1TUBB1SMN1; SMN2L3MBTL1NPC1
SCHEMBL21957648 0.77 HDAC8 (0.54) ERN1HDAC8MEN1KMT2APPARG
SCHEMBL20815159 0.75 TUBB1 (0.58) ERN1TUBB1BCHEMEN1KMT2A
SCHEMBL2573994 0.75 TUBB1 (0.57) ERN1TUBB1HDAC8NPC1RAB9A
SCHEMBL5285862 0.74 ERN1 (0.51) ERN1TUBB1HDAC8MAPTNPC1
SCHEMBL13744497 0.74 SMN1; SMN2 (0.51) ERN1TUBB1HDAC8MAPTSMN1; SMN2
SCHEMBL31562251 0.73 LIPE (0.49) ERN1BCHEMAPTSMN1; SMN2L3MBTL1
SCHEMBL6958225 0.73 ERN1 (0.50) ERN1HDAC8BCHEMEN1KMT2A

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-20090215908-A1 TOLL LIKE RECEPTOR (TLR) SIGNALING ANTAGONIST RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-08-27 US disclosed
US-20090215908-A1 TOLL LIKE RECEPTOR (TLR) SIGNALING ANTAGONIST RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-08-27 US disclosed
WO-2009047791-A2 TOLL LIKE RECEPTOR (TLR) SIGNALING ANTAGONIST RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-04-16 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-20090215908-A1 TOLL LIKE RECEPTOR (TLR) SIGNALING ANTAGONIST TLR4, TLR5, TLR1 ERN1 2109/4885TUBB1 3314/4885HDAC8 1673/4885

“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.