SCHEMBL6535915

SCHEMBL6535915

COc1cc(C=O)c(-c2cccc(C#N)c2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HB P07237 2/20 0.46
ERN1 O75460 8/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
KIT P10721 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL6536018 0.86 CHEK1 (0.45) ERN1PGRAR
SCHEMBL6780747 0.82 ERN1 (0.48) ERN1TLR2TLR1TLR6
SCHEMBL6536370 0.81 ERN1 (0.51) ERN1TLR2TLR1TLR6CYP3A4
SCHEMBL6535891 0.81 ERN1 (0.49) ERN1TLR2TLR1TLR6
SCHEMBL6778200 0.79 ERN1 (0.50) ERN1TLR2TLR1TLR6
SCHEMBL6782651 0.79 ERN1 (0.64) ERN1CYP3A4
SCHEMBL5621128 0.78 ACLY (0.50) P4HBERN1XDHSLC22A12PGR
SCHEMBL6776155 0.78 ERN1 (0.65) ERN1
SCHEMBL6781982 0.78 AKR1C3 (0.49) ERN1TLR2TLR1TLR6
SCHEMBL6781440 0.78 CA1 (0.46) ERN1TLR2TLR1TLR6

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 P4HB 756/4885ERN1 1774/4885ABCG2 681/4885

“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.