SCHEMBL11430985

SCHEMBL11430985

CC(C)(C)N=C=NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
TRPA1 O75762 2/20 0.52
MIF P14174 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
TAAR1 Q96RJ0 4/20 0.43
SLC6A2 P23975 2/20 0.43
NOS2 P35228 1/20 0.42
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
PRMT1 Q99873 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP2A13 Q16696 1/20 0.35

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
SCHEMBL11750270 0.85 MIF (0.46) CYP3A4TRPA1MIFALDH1A1HPGD
SCHEMBL2046670 0.82 MIF (0.65) CYP3A4TRPA1MIFALDH1A1HPGD
SCHEMBL21675914 0.80 MIF (0.48) CYP3A4TRPA1MIFALDH1A1HPGD
SCHEMBL20027159 0.80 MIF (0.55) TRPA1MIFTAAR1SLC6A2GRIN1
SCHEMBL23130498 0.78 MIF (0.56) CYP3A4TRPA1MIFALDH1A1HPGD
SCHEMBL23465177 0.78 MIF (0.56) CYP3A4TRPA1MIFALDH1A1HPGD
SCHEMBL2766608 0.77 MIF (0.54) CYP3A4TRPA1MIFALDH1A1HPGD
SCHEMBL11747524 0.75 KIF11 (0.36) CYP3A4TRPA1MIFALDH1A1HPGD
SCHEMBL1883321 0.73 MIF (0.50) CYP3A4TRPA1MIFALDH1A1HPGD
SCHEMBL15863522 0.73 MIF (0.60) CYP3A4TRPA1MIFALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066495-B2 Phosphaguanidine group IV metal olefin polymerization catalysts DOW GLOBAL TECHNOLOGY LLC (US) 2021-07-20 US disclosed
EP-3519470-B1 PHOSPHAGUANIDINE GROUP IV METAL OLEFIN POLYMERIZATION CATALYSTS DOW GLOBAL TECHNOLOGIES LLC (US) 2020-10-21 EP disclosed
US-20200031960-A1 PHOSPHAGUANIDINE GROUP IV METAL OLEFIN POLYMERIZATION CATALYSTS DOW GLOBAL TECHNOLOGIES LLC (US) 2020-01-30 US disclosed
US-4202786-A Peroxygen bleaching and compositions therefor FMC CORPORATION (US) 1980-05-13 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 (2 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-11066495-B2 Phosphaguanidine group IV metal olefin polymerization catalysts POLG, ODC1, RNGTT CYP3A4 779/4885TRPA1 1829/4885MIF 3138/4885
US-20200031960-A1 PHOSPHAGUANIDINE GROUP IV METAL OLEFIN POLYMERIZATION CATALYSTS POLG, ODC1, RNGTT CYP3A4 779/4885TRPA1 1829/4885MIF 3138/4885

“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.