SCHEMBL17190352

SCHEMBL17190352

CCN(CC)CCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
TSHR P16473 1/20 0.42
KCNH2 Q12809 3/20 0.41
DRD3 P35462 3/20 0.41
HTR1A P08908 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD1 P21728 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
OPRM1 P35372 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38

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
SCHEMBL17930135 0.89 SIGMAR1 (0.49) SIGMAR1KCNH2DRD3HTR1ACHRM1
SCHEMBL19530997 0.85 CYP3A4 (0.43) KDM4EHTR2AHRH1CYP3A4
SCHEMBL2359631 0.81 TP53 (0.36) SIGMAR1TSHRDRD3HTR1AOPRM1
SCHEMBL9864179 0.81 CYP3A4 (0.39) SIGMAR1TSHRKCNH2DRD3HTR1A
SCHEMBL17190349 0.79 TAAR1 (0.45) SIGMAR1TSHRKCNH2DRD3CHRM1
SCHEMBL17598759 0.78 TDP1 (0.43) SIGMAR1KCNH2DRD3HTR1ACHRM1
SCHEMBL17190351 0.74 LTA4H (0.39) SIGMAR1TSHRKCNH2CHRM1SLC6A4
SCHEMBL8723759 0.74 SIGMAR1 (0.42) SIGMAR1TSHRKCNH2DRD3HTR1A
SCHEMBL10314926 0.74 KCNH2 (0.46) SIGMAR1KCNH2DRD3OPRM1DRD2
SCHEMBL11292500 0.74 CARM1 (0.42) HTR2ASMN1; SMN2ADRA2CHRH1CYP3A4

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 SIGMAR1 819/4885TSHR 2735/4885KCNH2 3102/4885

“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.