SCHEMBL270368

SCHEMBL270368

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL268906 0.89 ESR1 (0.31) ESR1ESR2CYP3A4TDP1
SCHEMBL269251 0.80 CYP3A4 (0.35) ESR1ESR2CYP3A4TDP1
SCHEMBL15364389 0.73 ESR1 (0.32) ESR1ESR2CYP3A4TDP1
SCHEMBL15364391 0.73 ESR1 (0.32) ESR1ESR2CYP3A4TDP1
SCHEMBL5079908 0.72 ESR1 (0.31) ESR1ESR2CYP3A4TDP1
SCHEMBL27792155 0.71
Hydrochloric Acid SCHEMBL4456007 0.70 ATM (0.31) ESR1ESR2CYP3A4TDP1
SCHEMBL24809381 0.69
SCHEMBL20343295 0.69 CYP3A4 (0.31) CYP3A4
Hydrochloric Acid SCHEMBL4456013 0.69 ATM (0.33)

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 ESR1 1053/4885ESR2 1080/4885CYP3A4 215/4885

“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.