SCHEMBL5306554

SCHEMBL5306554

Oc1ccc(I)cc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.62
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 2/20 0.54
BCL2L1 Q07817 1/20 0.54
PELI1 Q96FA3 1/20 0.49
ALOX5 P09917 2/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ESR2 Q92731 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 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
SCHEMBL8423786 0.84 ALOX5 (0.61) BACE1ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL17917597 0.81 ADORA2A (0.54) BACE1ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL20152951 0.81 ERN1 (0.50) BACE1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL28402503 0.80 ALDH1A1 (0.44) BACE1ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL28293173 0.79 BACE1 (0.71) BACE1ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL344800 0.79 BACE1 (0.71) BACE1ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL29485605 0.79 BACE1 (0.71) BACE1ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL3314589 0.79 BACE1 (0.44) BACE1ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL13445421 0.79 BACE1 (0.44) BACE1ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL1754202 0.78 BACE1 (1.00) BACE1ALDH1A1HPGDHSD17B10BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460111-B1 PREPARATION OF 4-SUBSTITUTED ARYL OLEFINS EASTMAN KODAK CO (US) 1993-12-08 EP claimed
EP-0460111-A1 PREPARATION OF 4-SUBSTITUTED ARYL OLEFINS. EASTMAN KODAK CO (US) 1991-12-11 EP claimed
EP-0406310-A1 PROCESS FOR THE CARBONYLATION OF IODOAROMATIC COMPOUNDS. EASTMAN KODAK CO (US) 1991-01-09 EP claimed
US-4965361-A CATALYTIC REACTION OF 4-SUBSTITUTED ARYL IODIDE WITH OLEFIN IN ESTER SOLVENT EASTMAN KODAK COMPANY (US) 1990-10-23 US claimed
EP-0388322-A1 Preparation of 4-substituted aryl olefins EASTMAN KODAK COMPANY (US) 1990-09-19 EP claimed
WO-1990009973-A1 PREPARATION OF 4-SUBSTITUTED ARYL OLEFINS EASTMAN KODAK COMPANY (US) 1990-09-07 WO claimed
US-4885384-A USING PALLADIUM CATALYST AND BRONSTED BASE STATE STREET BANK AND TRUST COMPANY 1989-12-05 US claimed
WO-1989008634-A1 PROCESS FOR THE CARBONYLATION OF IODOAROMATIC COMPOUNDS EASTMAN KODAK COMPANY (US) 1989-09-21 WO claimed
CN-101268072-A DNA-PK inhibitors KUDOS PHARM LTD (GB) 2008-09-17 CN disclosed
EP-1869040-A1 DNA-PK INHIBITORS Kudos Pharmaceuticals Ltd (GB) 2007-12-26 EP disclosed
US-20060264623-A1 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2006-11-23 US disclosed
WO-2006109084-A1 DNA-PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-10-19 WO disclosed
EP-0460111-B1 PREPARATION OF 4-SUBSTITUTED ARYL OLEFINS EASTMAN KODAK CO (US) 1993-12-08 EP disclosed
EP-0377638-B1 PROCESS FOR THE IODINATION OF HYDROXYAROMATIC AND AMINOAROMATIC COMPOUNDS EASTMAN KODAK COMPANY (US) 1993-03-24 EP disclosed
EP-0460111-A1 PREPARATION OF 4-SUBSTITUTED ARYL OLEFINS. EASTMAN KODAK CO (US) 1991-12-11 EP disclosed
US-4965361-A CATALYTIC REACTION OF 4-SUBSTITUTED ARYL IODIDE WITH OLEFIN IN ESTER SOLVENT EASTMAN KODAK COMPANY (US) 1990-10-23 US disclosed
EP-0388322-A1 Preparation of 4-substituted aryl olefins EASTMAN KODAK COMPANY (US) 1990-09-19 EP disclosed
WO-1990009973-A1 PREPARATION OF 4-SUBSTITUTED ARYL OLEFINS EASTMAN KODAK COMPANY (US) 1990-09-07 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-20060264623-A1 DNA-PK inhibitors TOP2B, TOP2A, POLN BACE1 3323/4885ALDH1A1 2579/4885HPGD 573/4885

“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.