SCHEMBL12772010

SCHEMBL12772010

CC(C)(C)c1ccc(P(Cl)Cl)c(CN(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.51
CYP2C19 P33261 4/20 0.37
CYP1A2 P05177 3/20 0.37
TSHR P16473 1/20 0.33
RAB9A P51151 2/20 0.32
NR3C2 P08235 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL12772031 0.87 CYP2D6 (0.50) CYP2D6CYP2C19CYP1A2TSHRRAB9A
SCHEMBL12772022 0.81 CYP2D6 (0.43) CYP2D6CYP2C19CYP1A2TSHRRAB9A
SCHEMBL12772017 0.80 CYP2C19 (0.35) CYP2D6CYP2C19TSHRRAB9ANR3C2
SCHEMBL12771998 0.80 CYP2C19 (0.59) CYP2D6CYP2C19CYP1A2TSHRMEN1
SCHEMBL12772038 0.78 TSHR (0.43) CYP2D6CYP2C19CYP1A2TSHRMEN1
SCHEMBL12772013 0.77 TAAR1 (0.36) NR3C2KCNH2HDAC1HDAC8HDAC6
SCHEMBL12772018 0.77 NOS2 (0.36) TSHRNR3C2MEN1KMT2AL3MBTL1
SCHEMBL12772008 0.77 KDM4E (0.41) CYP2D6CYP2C19CYP1A2MEN1KMT2A
SCHEMBL12774306 0.77 CYP2D6 (0.41) CYP2D6CYP2C19CYP1A2RAB9AMEN1
SCHEMBL12772016 0.77 ALDH1A1 (0.34) TSHRRAB9ANR3C2MEN1KMT2A

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 7 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
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 CYP2D6 2096/4885CYP2C19 3142/4885CYP1A2 2917/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 CYP2D6 2096/4885CYP2C19 3142/4885CYP1A2 2917/4885

“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.