SCHEMBL5865103

SCHEMBL5865103

[O]CCc1cccc(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.52
GPR84 Q9NQS5 1/20 0.49
BCL2 P10415 1/20 0.49
ACMSD Q8TDX5 2/20 0.47
NR4A2 P43354 1/20 0.46
AOC3 Q16853 3/20 0.46
GGPS1 O95749 2/20 0.46
KMO O15229 1/20 0.45
BACE1 P56817 1/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
AKR1B1 P15121 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
GPR52 Q9Y2T5 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL7365145 0.83 ALDH1A1 (0.65) AGXTGPR84AOC3GGPS1FFAR1
SCHEMBL1262278 0.82 AGXT (0.55) AGXTGPR84BCL2NR4A2AOC3
SCHEMBL5539870 0.79 FFAR1 (0.59) AGXTFFAR1
SCHEMBL4533749 0.78 AGXT (0.52) AGXTGPR84BCL2AOC3GGPS1
SCHEMBL29618101 0.78 SIGMAR1 (0.52) AGXT
SCHEMBL5544652 0.78 AGXT (0.57) AGXTGPR84BCL2NR4A2AOC3
SCHEMBL5865105 0.78 TDP1 (0.62) AGXTGPR84BCL2ACMSDAOC3
SCHEMBL5483210 0.78 AGXT (0.52) AGXTGPR84BCL2AOC3GGPS1
SCHEMBL11358683 0.78 TDP1 (0.62) AGXTGPR84BCL2AOC3GGPS1
SCHEMBL28269703 0.78 AGXT (0.52) AGXTGPR84BCL2AOC3GGPS1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125999-B2 Process for producing organotitanium compound and process for addition reaction NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2006-10-24 US disclosed
US-20040167344-A1 Process for producing organotitanium compound and process for addition reaction FUMIE SATO 2004-08-26 US disclosed
US-6743916-B2 REACTING AN ACETYLENE COMPOUND IN THE PRESENCE OF A TITANIUM COMPOUND AND GRIGNARD REAGENT TO OBTAIN ORGANOTITANIUM COMPOUND Sato, Fumie (JP) 2004-06-01 US disclosed
US-20030096996-A1 Process for producing organotitanium compound and process for addition reaction NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-22 US disclosed
EP-1299379-A2 LACTAM METALLOPROTEASE INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-04-09 EP disclosed
WO-2002004416-A2 LACTAM METALLOPROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 WO disclosed
EP-1054877-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-11-29 EP disclosed
WO-1999041246-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-08-19 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 (2 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-20040167344-A1 Process for producing organotitanium compound and process for addition reaction ZYX, H1-4, GRIA4 AGXT 122/4885GPR84 2664/4885BCL2 4715/4885
US-20030096996-A1 Process for producing organotitanium compound and process for addition reaction ZYX, H1-4, GRIA4 AGXT 122/4885GPR84 2664/4885BCL2 4715/4885

“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.