SCHEMBL17342249

SCHEMBL17342249

Cc1cc(Cc2ccc(N(P(c3ccccc3)c3ccccc3)P(c3ccccc3)c3ccccc3)c(C)c2)ccc1N(C)P(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 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
SCHEMBL17345839 0.93 ESR1 (0.39) ESR1ESR2KDM4ECYP3A4CYP2C19
SCHEMBL17383975 0.80 GPR174 (0.33) ESR1ESR2
SCHEMBL11721043 0.74 GAA (0.36) KDM4ECYP3A4
SCHEMBL19753580 0.72 SIGMAR1 (0.40) CYP3A4
SCHEMBL17342250 0.72 ALDH1A1 (0.44) CYP3A4CYP2C19
SCHEMBL18788353 0.70 TSHR (0.38) CYP3A4
SCHEMBL11030098 0.69 ESR1 (0.50) ESR1ESR2KDM4ECYP3A4CYP2C19
SCHEMBL17717692 0.68 TDP1 (0.30) CYP3A4
SCHEMBL20125798 0.66 PTPN1 (0.31)
SCHEMBL17345798 0.66 CALM1 (0.44) CYP3A4CYP2C19

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-20170260305-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLIGOMERIZING OLEFINS USING THE SAME LG CHEM, LTD. (KR) 2017-09-14 US disclosed
US-9562062-B2 Ligand compound, organic chromium compound, catalyst system for ethylene oligomerization, and method for ethylene oligomerization using the same LG CHEM, LTD (KR) 2017-02-07 US disclosed
US-20170029346-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, CATALYST SYSTEM FOR OLIGOMERIZATION OF OLEFINS, AND METHOD FOR OLIGOMERIZATION OF OLEFINS USING THE CATALYST SYSTEM (AS AMENDED) LG CHEM, LTD. (KR) 2017-02-02 US disclosed
US-20150361118-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME LG CHEM, LTD. (KR) 2015-12-17 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 (3 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-20170029346-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, CATALYST SYSTEM FOR OLIGOMERIZATION OF OLEFINS, AND METHOD FOR OLIGOMERIZATION OF OLEFINS USING THE CATALYST SYSTEM (AS AMENDED) OXER1, OSTC, ORC3 ESR1 732/4885ESR2 1046/4885KDM4E 4167/4885
US-20170260305-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLIGOMERIZING OLEFINS USING THE SAME OXER1, OSTC, OCIAD1 ESR1 571/4885ESR2 740/4885KDM4E 4712/4885
US-20150361118-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME OXER1, OSTC, OR51E2 ESR1 25/4885ESR2 74/4885KDM4E 4591/4885

“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.