SCHEMBL17190347

SCHEMBL17190347

CN(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
KCNN4 O15554 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
MAPT P10636 1/20 0.31
AOC3 Q16853 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
LMNA P02545 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
SCHEMBL12693970 0.80 CYP3A4 (0.30) TDP1CYP3A4
SCHEMBL322574 0.78 TDP1 (0.45) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL1646006 0.78 TDP1 (0.45) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL14617914 0.74 CYP3A4 (0.41) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL2574194 0.74 MEN1 (0.42) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL14271678 0.72 TAAR1 (0.39) TDP1CYP3A4ALDH1A1TSHRKMT2A
SCHEMBL28635021 0.71 TDP1 (0.50) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL16841448 0.70 TDP1 (0.38) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL11727815 0.70 TDP1 (0.38) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL32679515 0.69 CYP3A4 (0.47) TDP1CYP3A4ESR1ESR2ALDH1A1

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-9731282-B2 Ligand compound, organic chromium compound, catalyst system for ethylene oligomerization, preparation method thereof, and ethylene oligomerization method using the same LG CHEM, LTD. (KR) 2017-08-15 US disclosed
US-9731282-B2 Ligand compound, organic chromium compound, catalyst system for ethylene oligomerization, preparation method thereof, and ethylene oligomerization method using the same LG CHEM, LTD. (KR) 2017-08-15 US disclosed
US-20150298110-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, CATALYST SYSTEM FOR ETHYLENE OLIGOMERIZATION, PREPARATION METHOD THEREOF, AND ETHYLENE OLIGOMERIZATION METHOD USING THE SAME LG CHEM, LTD. (KR) 2015-10-22 US disclosed
US-20150298110-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, CATALYST SYSTEM FOR ETHYLENE OLIGOMERIZATION, PREPARATION METHOD THEREOF, AND ETHYLENE OLIGOMERIZATION METHOD USING THE SAME LG CHEM, LTD. (KR) 2015-10-22 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-20150298110-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, CATALYST SYSTEM FOR ETHYLENE OLIGOMERIZATION, PREPARATION METHOD THEREOF, AND ETHYLENE OLIGOMERIZATION METHOD USING THE SAME OXER1, ORC3, OR51E2 TDP1 2486/4885CYP3A4 632/4885ESR1 26/4885

“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.