SCHEMBL6536186

SCHEMBL6536186

COc1cc(C=O)c(-c2ccc(Oc3ccccc3)cc2)cc1O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.63
HDAC8 Q9BY41 1/20 0.48
GSTP1 P09211 1/20 0.45
TTR P02766 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TRIM24 O15164 1/20 0.43
TYR P14679 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
BACE1 P56817 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42

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 0.89 ERN1 (0.51) ERN1LMNAALDH1A1CYP2C19TRIM24
SCHEMBL6780867 0.88 ERN1 (0.58) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL6782095 0.84 ERN1 (0.55) ERN1GSTP1BACE1GAA
SCHEMBL6783006 0.82 ERN1 (0.51) ERN1LMNAALDH1A1TRIM24TRIM33
SCHEMBL6535973 0.82 ERN1 (0.63) ERN1LMNAALDH1A1TRIM24TYR
SCHEMBL6780747 0.81 ERN1 (0.48) ERN1ALDH1A1KMT2A
SCHEMBL6781727 0.81 ERN1 (0.61) ERN1GAA
SCHEMBL6535992 0.81 BCHE (0.45) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL6536181 0.80 ERN1 (0.63) ERN1ALDH1A1TRIM24TRIM33KMT2A
SCHEMBL6776941 0.78 ERN1 (0.43) ERN1ALDH1A1TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
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
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 ERN1 1774/4885HDAC8 1150/4885GSTP1 3554/4885

“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.