SCHEMBL6779893

SCHEMBL6779893

COc1cc(C=O)c(-c2ccccc2OC(F)(F)F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.47
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
AOX1 Q06278 1/20 0.39
TRIM24 O15164 1/20 0.39
HPGD P15428 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
CGAS Q8N884 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL6782462 0.88 ERN1 (0.58) ERN1ALDH1A1L3MBTL1TLR2TLR1
SCHEMBL6536111 0.81 ERN1 (0.61) ERN1ALDH1A1L3MBTL1TLR2TLR1
SCHEMBL6535955 0.81 ERN1 (0.48) ERN1ALDH1A1L3MBTL1TLR2TLR1
SCHEMBL6782947 0.80 ERN1 (0.49) ERN1ALDH1A1L3MBTL1TLR2TLR1
SCHEMBL6535992 0.80 BCHE (0.45) ERN1ALDH1A1TRIM24TRIM33
SCHEMBL6785420 0.79 ERN1 (0.48) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL6783006 0.79 ERN1 (0.51) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL6535907 0.79 ERN1 (0.61) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL6787832 0.78 ERN1 (0.66) ERN1ALDH1A1L3MBTL1HPGD
SCHEMBL6536013 0.77 ERN1 (0.47) ERN1ALDH1A1L3MBTL1TLR2TLR1

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 2602/4885L3MBTL1 4502/4885

“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.