SCHEMBL6780867

SCHEMBL6780867

COc1ccc(-c2cc(O)c(OC)cc2C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.58
TRIM24 O15164 2/20 0.53
TRIM33 Q9UPN9 2/20 0.53
TYR P14679 1/20 0.53
ALDH1A1 P00352 3/20 0.50
KLK7 P49862 1/20 0.50
RAB9A P51151 1/20 0.50
BACE1 P56817 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AOX1 Q06278 1/20 0.45
HPGD P15428 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6536186 0.88 ERN1 (0.63) ERN1TRIM24TRIM33TYRALDH1A1
SCHEMBL6535973 0.88 ERN1 (0.63) ERN1TRIM24TRIM33TYRALDH1A1
SCHEMBL6535992 0.86 BCHE (0.45) ERN1TRIM24TRIM33TYRALDH1A1
SCHEMBL6536370 0.86 ERN1 (0.51) ERN1TRIM24TRIM33ALDH1A1BACE1
SCHEMBL6536181 0.85 ERN1 (0.63) ERN1TRIM24TRIM33ALDH1A1MEN1
SCHEMBL6776941 0.84 ERN1 (0.43) ERN1TRIM24TRIM33ALDH1A1AOX1
SCHEMBL6781727 0.84 ERN1 (0.61) ERN1RAB9ATDP1
SCHEMBL6777355 0.84 CYP1A1 (0.43) ERN1TRIM24TRIM33ALDH1A1AOX1
SCHEMBL6536238 0.84 MMP9 (0.44) ERN1TRIM24TRIM33ALDH1A1MEN1
SCHEMBL6785749 0.84 ERN1 (0.61) ERN1TRIM24TRIM33TYRALDH1A1

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 1774/4885TRIM24 2768/4885TRIM33 3947/4885

“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.