SCHEMBL6780747

SCHEMBL6780747

COc1cc(C=O)c(-c2cccc(-c3ccccc3)c2)cc1O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 18/20 0.48
TLR2 O60603 1/20 0.45
TLR1 Q15399 1/20 0.45
TLR6 Q9Y2C9 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 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
SCHEMBL6536370 0.91 ERN1 (0.51) ERN1TLR2TLR1TLR6KDM4E
SCHEMBL6782651 0.85 ERN1 (0.64) ERN1KDM4EMEN1ALDH1A1MAPT
SCHEMBL6535891 0.85 ERN1 (0.49) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL6783006 0.84 ERN1 (0.51) ERN1TLR2TLR1TLR6KDM4E
SCHEMBL6778200 0.83 ERN1 (0.50) ERN1TLR2TLR1TLR6
SCHEMBL6781982 0.82 AKR1C3 (0.49) ERN1TLR2TLR1TLR6MAPT
SCHEMBL6535915 0.82 P4HB (0.46) ERN1TLR2TLR1TLR6
SCHEMBL6781440 0.82 CA1 (0.46) ERN1TLR2TLR1TLR6
SCHEMBL6776155 0.82 ERN1 (0.65) ERN1
SCHEMBL6536186 0.81 ERN1 (0.63) ERN1ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 ERN1 1774/4885TLR2 4537/4885TLR1 3900/4885

“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.