SCHEMBL7076366

SCHEMBL7076366

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
EGFR P00533 1/20 0.33
HDAC3 O15379 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP2C19 P33261 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7072917 0.99 EGFR (0.35) TDP1EGFRHDAC3SMN1; SMN2
SCHEMBL7070270 0.96 TDP1 (0.35) TDP1EGFRHDAC3KDM4ECYP2C19
SCHEMBL7074143 0.94 TDP1 (0.36) TDP1EGFRHDAC3KDM4ENPC1
SCHEMBL7072779 0.93 EGFR (0.37) TDP1EGFRHDAC3KDM4ENPC1
SCHEMBL7072969 0.92 MAOB (0.32)
SCHEMBL7069086 0.90 TDP1 (0.37) TDP1EGFRHDAC3KDM4ENPC1
SCHEMBL7068786 0.87 MAOB (0.33) TDP1KDM4ENPC1LMNARAB9A
SCHEMBL7072574 0.86
SCHEMBL7072813 0.85 MAOB (0.38) TDP1KDM4ECYP3A4NPC1LMNA
Butadiene SCHEMBL7075360 0.85

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 TDP1 4039/4885EGFR 1661/4885HDAC3 2435/4885

“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.