SCHEMBL6536116

SCHEMBL6536116

COc1ccc(-c2cc(O)c(OC)cc2C=O)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.64
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CYP2A6 P11509 1/20 0.43
FYN P06241 1/20 0.42
RPS6KA3 P51812 1/20 0.41
EGFR P00533 1/20 0.41
ALDH1A1 P00352 2/20 0.41
AOX1 Q06278 1/20 0.41
TRIM24 O15164 1/20 0.41
HPGD P15428 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL19153445 0.81 ERN1 (0.60) ERN1HSD17B1HSD17B2PDGFRBPDGFRA
SCHEMBL6780867 0.80 ERN1 (0.58) ERN1ALDH1A1AOX1TRIM24HPGD
SCHEMBL6536370 0.79 ERN1 (0.51) ERN1ALDH1A1AOX1TRIM24HPGD
SCHEMBL6536258 0.78 ERN1 (0.64) ERN1MKNK1MKNK2FYNEGFR
SCHEMBL12766986 0.78 ERN1 (1.00) ERN1
SCHEMBL19127424 0.78 ERN1 (0.62) ERN1HSD17B1HSD17B2PDGFRBPDGFRA
SCHEMBL17967084 0.78 ERN1 (0.62) ERN1HSD17B1HSD17B2MKNK1MKNK2
SCHEMBL6536181 0.78 ERN1 (0.63) ERN1FYNALDH1A1AOX1TRIM24
SCHEMBL6535973 0.77 ERN1 (0.63) ERN1ALDH1A1TRIM24HPGDTRIM33
SCHEMBL6776941 0.77 ERN1 (0.43) ERN1ALDH1A1AOX1TRIM24HPGD

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 1774/4885HSD17B1 3086/4885HSD17B2 3171/4885

“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.