SCHEMBL3971633

SCHEMBL3971633

COc1cc(C=O)c(-c2c(C=O)cc(OC)cc2OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.54
ERN1 O75460 3/20 0.51
TUBB1 Q9H4B7 1/20 0.49
MAOB P27338 3/20 0.49
ABCB1 P08183 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46

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
SCHEMBL2573994 0.87 TUBB1 (0.57) HDAC8ERN1TUBB1MAOBABCB1
SCHEMBL1311076 0.87 HDAC8 (0.65) HDAC8ERN1MAOBABCB1NPC1
SCHEMBL5285862 0.86 ERN1 (0.51) HDAC8ERN1TUBB1MAOBABCB1
SCHEMBL13744497 0.86 SMN1; SMN2 (0.51) HDAC8ERN1TUBB1MAOBABCB1
SCHEMBL13744710 0.86 HDAC8 (0.51) HDAC8MAOBABCB1ALDH1A1KDM4E
SCHEMBL3972878 0.84 ERN1 (0.46) HDAC8ERN1TUBB1NPC1RAB9A
SCHEMBL21957648 0.84 HDAC8 (0.54) HDAC8ERN1MAOBABCB1NPC1
SCHEMBL6035502 0.81 TUBB1 (0.72) ERN1TUBB1MAOBNPC1RAB9A
SCHEMBL435043 0.81 ALDH1A1 (0.61) HDAC8ERN1TUBB1MAOBNPC1
SCHEMBL7395874 0.81 MAOB (0.50) HDAC8ERN1TUBB1MAOBNPC1

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 HDAC8 1673/4885ERN1 2109/4885TUBB1 3314/4885

“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.