SCHEMBL4189787

SCHEMBL4189787

CC(C)(C)Oc1cccc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
APP P05067 3/20 0.38
IDO1 P14902 2/20 0.35
CETP P11597 1/20 0.35
TBXA2R P21731 1/20 0.34
TP53BP1 Q12888 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL260934 0.84 KIF11 (0.47) KIF11CETPKDM4EMEN1ALDH1A1
SCHEMBL29942701 0.78 GPR3 (0.47) KIF11CETP
SCHEMBL78949 0.78 GPR3 (0.47) KIF11CETP
SCHEMBL2092198 0.77 KIF11 (0.43) KIF11CETPTRPV1KDM4EMEN1
SCHEMBL737294 0.77 SLC6A2 (0.38) KIF11SLC6A2SLC6A4SLC6A3APP
SCHEMBL7386225 0.76 ACHE (0.58) KIF11SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL678558 0.76 ACHE (0.52) IDO1KDM4EMEN1ALDH1A1HPGD
SCHEMBL1802320 0.76 CYP3A4 (0.53) KIF11APPALDH1A1ACHEPOLB
SCHEMBL16952658 0.75 NPC1 (0.43) KIF11TRPV1MEN1KMT2ACES2
SCHEMBL5738818 0.75 TP53BP1 (0.43) TBXA2RTP53BP1MEN1KMT2ACES2

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
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-7521581-B2 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION (JP) 2009-04-21 US disclosed
EP-1707263-B1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same TOSOH CORP (JP) 2009-02-25 EP disclosed
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION 2006-10-05 US disclosed
EP-1707263-A1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same Tosoh Corporation (JP) 2006-10-04 EP 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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP KIF11 4192/4885SLC6A2 2461/4885SLC6A4 2076/4885
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same C5, TST, PYM1 KIF11 2701/4885SLC6A2 1275/4885SLC6A4 1248/4885

“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.