SCHEMBL7072779

SCHEMBL7072779

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
MAOB P27338 1/20 0.34
CETP P11597 5/20 0.33
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 0.32
TUBB6 Q9BUF5 2/20 0.32
TUBB2B Q9BVA1 2/20 0.32
TUBB1 Q9H4B7 2/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL7074143 0.99 TDP1 (0.36) EGFRTDP1MAOBCETPTUBB4A
SCHEMBL7069086 0.95 TDP1 (0.37) EGFRTDP1MAOBHDAC3SMN1; SMN2
SCHEMBL7072917 0.94 EGFR (0.35) EGFRTDP1CETPTUBB4ATUBB
SCHEMBL7076366 0.93 TDP1 (0.34) EGFRTDP1HDAC3SMN1; SMN2KDM4E
SCHEMBL7072813 0.90 MAOB (0.38) TDP1MAOBSMN1; SMN2MAPTKDM4E
SCHEMBL7070270 0.89 TDP1 (0.35) EGFRTDP1MAOBHDAC3SMN1; SMN2
SCHEMBL7075697 0.84 MAOB (0.40) MAOBHDAC3SMN1; SMN2MAPTKDM4E
SCHEMBL7070708 0.84 MAOB (0.33) MAOB
SCHEMBL7072969 0.84 MAOB (0.32) MAOB
SCHEMBL7073495 0.83

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 EGFR 1661/4885TDP1 4039/4885MAOB 1280/4885

“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.