SCHEMBL7075697

SCHEMBL7075697

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
RELA Q04206 1/20 0.34
LMNA P02545 2/20 0.33
TRPA1 O75762 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 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
SCHEMBL7068786 0.93 MAOB (0.33) MAOBRELALMNATRPA1ALDH1A1
SCHEMBL7072813 0.89 MAOB (0.38) MAOBRELALMNATRPA1ALDH1A1
SCHEMBL7069086 0.87 TDP1 (0.37) MAOBRELALMNAALDH1A1RAB9A
SCHEMBL7074143 0.85 TDP1 (0.36) MAOBRELALMNARAB9ANPC1
SCHEMBL7075627 0.85 MAOB (0.37) MAOBLMNATRPA1ALDH1A1ALOX5
SCHEMBL7075796 0.85 MAOB (0.37) MAOBLMNATRPA1ALDH1A1ALOX5
SCHEMBL7072779 0.84 EGFR (0.37) MAOBLMNARAB9ANPC1KDM4E
SCHEMBL7073402 0.84 MAOB (0.44) MAOBRELALMNATRPA1ALDH1A1
SCHEMBL7072969 0.83 MAOB (0.32) MAOBRELA
SCHEMBL7073088 0.83 MAOB (0.35) MAOBALDH1A1MAPTSMN1; SMN2CYP3A4

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 2964/4885LMNA 4094/4885

“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.