SCHEMBL12772017

SCHEMBL12772017

Cc1ccc(P(Cl)Cl)c(CN(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.35
HTT P42858 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
JAK2 O60674 1/20 0.35
PAX8 Q06710 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR3C2 P08235 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
LMNA P02545 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
SCHEMBL12772028 0.86 HSD17B3 (0.37) CYP2C19HTTNPC1RAB9AALDH1A1
SCHEMBL12772013 0.81 TAAR1 (0.36) NR3C2ESR1ESR2TAAR1NOS2
SCHEMBL12772018 0.81 NOS2 (0.36) NR3C2ESR1ESR2TAAR1NOS2
SCHEMBL12772010 0.80 CYP2D6 (0.51) CYP2C19NPC1RAB9AALDH1A1NR3C2
SCHEMBL12772016 0.80 ALDH1A1 (0.34) HTTNPC1RAB9AALDH1A1NR3C2
SCHEMBL12772007 0.79 CYP2C19 (0.41) CYP2C19HTTNPC1RAB9AALDH1A1
SCHEMBL12956810 0.78 NR3C2 (0.31) NR3C2
SCHEMBL12772004 0.78 SLC6A4 (0.47) CYP2C19ALDH1A1TDP1THRBKDM4E
SCHEMBL12772048 0.76 TSHR (0.46) CYP2C19ALDH1A1KDM4ECYP2D6TSHR
SCHEMBL12771993 0.75 MAPT (0.43) HTTALDH1A1JAK2TDP1THRB

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 CYP2C19 3142/4885HTT 4100/4885NPC1 2729/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 CYP2C19 3142/4885HTT 4100/4885NPC1 2729/4885

“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.