SCHEMBL7068786

SCHEMBL7068786

C=CC=Cc1ccccc1.CCP(CC)(CC)=NC1=CC=CC1.[Ti]

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
RELA Q04206 1/20 0.32
RAB9A P51151 3/20 0.31
LMNA P02545 3/20 0.30
MAPT P10636 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
NPC1 O15118 2/20 0.30
MAPK1 P28482 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL7075697 0.93 MAOB (0.40) MAOBRELARAB9ALMNAMAPT
SCHEMBL7072969 0.90 MAOB (0.32) MAOBRELA
SCHEMBL7070270 0.88 TDP1 (0.35) MAOBRAB9ALMNAL3MBTL1NPC1
SCHEMBL7073585 0.87 MAOB (0.32) MAOB
SCHEMBL7076366 0.87 TDP1 (0.34) RAB9ALMNAL3MBTL1NPC1TDP1
SCHEMBL7072747 0.86 MAOB (0.31) MAOB
SCHEMBL7072917 0.86 EGFR (0.35) MAPTTDP1SMN1; SMN2
SCHEMBL7073468 0.85 CYP2C19 (0.31) MAOB
SCHEMBL7072712 0.85 MAOB (0.36) MAOBRAB9ALMNAMAPK1TRPA1
SCHEMBL7070393 0.84 ALDH1A1 (0.30) ALDH1A1

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-20030109730-A1 Transition metal compound, addition polymerization catalyst component, addition polymerization catalyst and process for production of olefin polymer NABIKA MASAAKI (JP) 2003-06-12 US disclosed
US-6528671-B1 Such as cyclopentadienyl-trimethylphosphineimine-1,4-di-phenyl butandiene titanium complex; copolymerization of ethylene with other alpha-olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-04 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-20030109730-A1 Transition metal compound, addition polymerization catalyst component, addition polymerization catalyst and process for production of olefin polymer ARL1, AP2M1, AP1M1 MAOB 1280/4885RELA 2964/4885RAB9A 2938/4885

“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.