SCHEMBL6535992

SCHEMBL6535992

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
ERN1 O75460 9/20 0.45
GCGR P47871 1/20 0.44
ABL1 P00519 2/20 0.43
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
SCN5A Q14524 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MCHR1 Q99705 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
SCHEMBL6785420 0.86 ERN1 (0.48) ERN1ABL1ALDH1A1
SCHEMBL6780867 0.86 ERN1 (0.58) BACE1ERN1TRIM24TYRTRIM33
SCHEMBL6778781 0.84 AKR1C3 (0.46) BCHEACHEBACE1ERN1TRIM24
SCHEMBL6535973 0.81 ERN1 (0.63) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL6536186 0.81 ERN1 (0.63) BACE1ERN1TRIM24TYRTRIM33
SCHEMBL6776941 0.80 ERN1 (0.43) ERN1GCGRTRIM24TRIM33ALDH1A1
SCHEMBL6779893 0.80 ERN1 (0.47) ERN1TRIM24TRIM33ALDH1A1
SCHEMBL6536370 0.79 ERN1 (0.51) BACE1ERN1TRIM24TRIM33ALDH1A1
SCHEMBL6536181 0.79 ERN1 (0.63) ERN1TRIM24TRIM33ALDH1A1
SCHEMBL6781727 0.77 ERN1 (0.61) 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 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 BCHE 1279/4885ACHE 1177/4885BACE1 370/4885

“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.