SCHEMBL269251

SCHEMBL269251

CC=C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cl[Ni]Cl

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34

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
SCHEMBL270250 0.87 CYP3A4 (0.35) CYP3A4TDP1ESR1ESR2
SCHEMBL270368 0.80 ESR1 (0.31) CYP3A4TDP1ESR1ESR2
SCHEMBL268906 0.68 ESR1 (0.31) CYP3A4TDP1ESR1ESR2
SCHEMBL164931 0.68 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2
SCHEMBL11675272 0.68 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2
SCHEMBL2697473 0.68 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2
SCHEMBL7101958 0.68 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2
SCHEMBL6939765 0.66 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2
SCHEMBL7113981 0.66 TDP1 (0.45) CYP3A4TDP1ESR1ESR2
SCHEMBL4973930 0.66 TDP1 (0.45) 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-8134035-B2 Preparation of asymmetric anthracene derivatives and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2012-03-13 US disclosed
US-20110065924-A1 PREPARATION OF ASYMMETRIC ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2011-03-17 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 (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-20110065924-A1 PREPARATION OF ASYMMETRIC ANTHRACENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME AKR7A2, ACMSD, ALKBH3 CYP3A4 215/4885TDP1 3492/4885ESR1 1053/4885

“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.