SCHEMBL7073922

SCHEMBL7073922

C1=CCC(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=C1.C=C(C(=C)c1ccccc1)c1ccccc1.[Ti]

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL7074048 0.92 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL7072938 0.88
SCHEMBL7073333 0.86
SCHEMBL7072627 0.85 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL7075395 0.84 ALOX15 (0.30) TSHR
SCHEMBL7075622 0.84
Butadiene SCHEMBL7072992 0.83 ALOX15 (0.30) TSHR
SCHEMBL7074599 0.82
SCHEMBL7072824 0.81 ATM (0.31)
SCHEMBL7075625 0.81 LMNA (0.32) MAPT

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 MEN1 3612/4885TP53 4569/4885CYP1A2 1177/4885

“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.