SCHEMBL6781982

SCHEMBL6781982

COc1cc(C=O)c(-c2cccc(C(F)(F)F)c2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
RORB Q92753 3/20 0.47
RORC P51449 1/20 0.47
PTPN5 P54829 1/20 0.46
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
FYN P06241 1/20 0.43
ERN1 O75460 5/20 0.43
MAOB P27338 1/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1B Q00975 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
BRAF P15056 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
SCHEMBL6778781 0.86 AKR1C3 (0.46) AKR1C3AKR1C2ERN1
SCHEMBL6785420 0.83 ERN1 (0.48) MAPTFYNERN1TLR2TLR1
SCHEMBL6780747 0.82 ERN1 (0.48) MAPTERN1TLR2TLR1TLR6
SCHEMBL6536370 0.81 ERN1 (0.51) MAPTERN1TLR2TLR1TLR6
SCHEMBL6535891 0.81 ERN1 (0.49) RORBRORCFYNERN1TLR2
SCHEMBL6786864 0.80 CXCL12 (0.40) AKR1C3AKR1C2MAPTPOLBERN1
SCHEMBL6778200 0.79 ERN1 (0.50) FYNERN1TLR2TLR1TLR6
SCHEMBL6782651 0.79 ERN1 (0.64) MAPTPOLBERN1
SCHEMBL15959117 0.78 MAOA (0.56) AKR1C3AKR1C2RORBRORCMAPT
SCHEMBL16697837 0.78 MAOA (0.53) AKR1C3AKR1C2RORBRORCMAPT

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 AKR1C3 3229/4885AKR1C2 3732/4885RORB 4589/4885

“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.