SCHEMBL6776941

SCHEMBL6776941

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
AOX1 Q06278 1/20 0.42
TRIM24 O15164 1/20 0.42
HPGD P15428 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
GCGR P47871 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6778781 0.88 AKR1C3 (0.46) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL6780867 0.84 ERN1 (0.58) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL6536370 0.82 ERN1 (0.51) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL6536181 0.82 ERN1 (0.63) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL6536238 0.81 MMP9 (0.44) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL6785749 0.81 ERN1 (0.61) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL6781727 0.81 ERN1 (0.61) ERN1TDP1KDM4E
SCHEMBL6777355 0.81 CYP1A1 (0.43) ERN1ALDH1A1TDP1AOX1TRIM24
SCHEMBL6535992 0.80 BCHE (0.45) ERN1ALDH1A1TRIM24TRIM33GCGR
SCHEMBL6780372 0.80 PTGS2 (0.50) ERN1

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 1774/4885ALDH1A1 2602/4885TDP1 1311/4885

“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.