SCHEMBL12771998

SCHEMBL12771998

CN(C)Cc1cc(C(C)(C)C)ccc1P(Cl)Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.59
CYP1A2 P05177 4/20 0.59
ALOX15 P16050 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CYP2D6 P10635 7/20 0.40
KDM4E B2RXH2 2/20 0.37
HTR1D P28221 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL12772008 0.83 KDM4E (0.41) CYP2C19CYP1A2ALOX15MAPK1HTT
SCHEMBL12772031 0.82 CYP2D6 (0.50) CYP2C19CYP1A2CYP2D6KDM4ECYP3A4
SCHEMBL12772010 0.80 CYP2D6 (0.51) CYP2C19CYP1A2CYP2D6CYP3A4TSHR
SCHEMBL12772022 0.79 CYP2D6 (0.43) CYP2C19CYP1A2MAPK1CYP2D6TSHR
SCHEMBL12724796 0.78 CYP2C19 (0.67) CYP2C19CYP1A2ALOX15MAPK1HTT
SCHEMBL12772004 0.77 SLC6A4 (0.47) CYP2C19CYP1A2KDM4EL3MBTL1ALDH1A1
SCHEMBL15785391 0.77 CYP2C19 (0.65) CYP2C19CYP1A2ALOX15MAPK1HTT
SCHEMBL10874465 0.77 CYP2C19 (0.67) CYP2C19CYP1A2ALOX15MAPK1HTT
SCHEMBL12772038 0.75 TSHR (0.43) CYP2C19CYP1A2MAPK1CYP2D6KDM4E
SCHEMBL12772001 0.75 SLC6A4 (0.45) KDM4EL3MBTL1ALDH1A1TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
EP-2272852-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex Sumitomo Chemical Company, Limited (JP) 2011-01-12 EP disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 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-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 CYP2C19 3142/4885CYP1A2 2917/4885ALOX15 1761/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 CYP2C19 3142/4885CYP1A2 2917/4885ALOX15 1761/4885

“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.