SCHEMBL6535955

SCHEMBL6535955

CCOc1ccccc1-c1cc(O)c(OC)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.48
ALDH1A1 P00352 4/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
STK17B O94768 1/20 0.42
CAPN1 P07384 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
LRRK2 Q5S007 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 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 0.89 ERN1 (0.58) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL6787832 0.86 ERN1 (0.66) ERN1ALDH1A1LMNAATMMAPT
SCHEMBL6536013 0.84 ERN1 (0.47) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL6782947 0.81 ERN1 (0.49) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL6779893 0.81 ERN1 (0.47) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL6781623 0.80 ERN1 (0.67) ERN1ALDH1A1LMNAMAPTHPGD
SCHEMBL6783006 0.80 ERN1 (0.51) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL1648002 0.80 PTPRC (0.46) ERN1ALDH1A1LMNAATMCAPN1
SCHEMBL6535907 0.80 ERN1 (0.61) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL6536111 0.80 ERN1 (0.61) ERN1ALDH1A1TLR2TLR1TLR6

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 1774/4885ALDH1A1 2602/4885TLR2 4537/4885

“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.