SCHEMBL19538366

SCHEMBL19538366

c1ccc(PN(NNN(Pc2ccccc2)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31

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
SCHEMBL9715912 0.71 CYP3A4 (0.33) CYP3A4TDP1ESR1ESR2
SCHEMBL28635021 0.69 TDP1 (0.50) CYP3A4TDP1ESR1ESR2
SCHEMBL19538364 0.67 TDP1 (0.43) CYP3A4TDP1ESR1ESR2
Hydrochloric Acid SCHEMBL28467021 0.66 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2
SCHEMBL32679515 0.61 CYP3A4 (0.47) CYP3A4TDP1ESR1ESR2
SCHEMBL6289830 0.59 TSHR (0.36) TDP1
SCHEMBL322574 0.59 TDP1 (0.45) CYP3A4TDP1ESR1ESR2
SCHEMBL1646006 0.59 TDP1 (0.45) CYP3A4TDP1ESR1ESR2
SCHEMBL11661389 0.59 TP53 (0.36) ESR1
SCHEMBL2576486 0.58 TDP1 (0.43) CYP3A4TDP1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10688473-B2 Ligand compound, organic chromium compound, catalyst system for oligomerization of olefins, and method for oligomerizing olefins using the same LG CHEM, LTD. (KR) 2020-06-23 US disclosed
US-20170312738-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, CATALYST SYSTEM FOR OLIGOMERIZATION OF OLEFINS, AND METHOD FOR OLIGOMERIZING OLEFINS USING THE SAME LG CHEM, LTD. (KR) 2017-11-02 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-10688473-B2 Ligand compound, organic chromium compound, catalyst system for oligomerization of olefins, and method for oligomerizing olefins using the same OXER1, OSTC, ORC3 CYP3A4 751/4885TDP1 1826/4885ESR1 781/4885
US-20170312738-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, CATALYST SYSTEM FOR OLIGOMERIZATION OF OLEFINS, AND METHOD FOR OLIGOMERIZING OLEFINS USING THE SAME OXER1, OSTC, ORC3 CYP3A4 751/4885TDP1 1826/4885ESR1 781/4885

“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.