SCHEMBL6535907

SCHEMBL6535907

COc1cc(C=O)c(-c2ccccc2Cl)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.61
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AR P10275 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
AOX1 Q06278 1/20 0.43
TRIM24 O15164 1/20 0.43
HPGD P15428 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
CXCL12 P48061 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CGAS Q8N884 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL6782462 0.87 ERN1 (0.58) ERN1ALDH1A1TDP1TLR2TLR1
SCHEMBL6779943 0.84 ERN1 (0.50) ERN1ARALDH1A1TDP1AOX1
SCHEMBL6782947 0.84 ERN1 (0.49) ERN1ALDH1A1TDP1TLR2TLR1
SCHEMBL6536111 0.83 ERN1 (0.61) ERN1ALDH1A1TDP1TLR2TLR1
SCHEMBL6783006 0.83 ERN1 (0.51) ERN1ALDH1A1TDP1TLR2TLR1
SCHEMBL6536013 0.82 ERN1 (0.47) ERN1ALDH1A1TDP1TLR2TLR1
SCHEMBL4598831 0.81 ERN1 (0.56) ERN1AKR1C3AKR1C2ALDH1A1TDP1
SCHEMBL6536370 0.81 ERN1 (0.51) ERN1ALDH1A1TDP1TLR2TLR1
SCHEMBL6781839 0.81 ERN1 (0.46) ERN1ALDH1A1TDP1TLR2TLR1
SCHEMBL6780641 0.81 ERN1 (0.63) ERN1ALDH1A1TDP1TLR2TLR1

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 1774/4885AKR1C3 3229/4885AKR1C2 3732/4885

“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.