SCHEMBL12367828

SCHEMBL12367828

c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccc7cccc8ccc5c6c78)cc4)c4ccccc34)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
THRB P10828 1/20 0.39
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CDK4 P11802 1/20 0.32

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
SCHEMBL17263999 0.92 SIGMAR1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17263970 0.92 SIGMAR1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18174836 0.92 CYP1A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2329233 0.91 RXRA (0.36) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17264003 0.91 ALDH1A1 (0.35) CYP1A2ALDH1A1RXRARXRBCYP3A4
SCHEMBL15138065 0.91 ALDH1A1 (0.35) CYP1A2ALDH1A1RXRARXRBCYP3A4
SCHEMBL12433897 0.90 SIGMAR1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12433945 0.90 SIGMAR1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17263972 0.90 ALDH1A1 (0.34) CYP1A2ALDH1A1RXRARXRBCYP3A4
SCHEMBL13854569 0.89 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140299864-A1 POLYMERS CONTAINING THERMALLY DISSOCIABLE AND SOLUBLE GROUPS AND THE USE OF SUCH POLYMERS AS ORGANIC ELECTROLUMINESCENT MATERIALS MITSUBISHI CHEMICAL CORPORATION (JP) 2014-10-09 US disclosed
US-20140299864-A1 POLYMERS CONTAINING THERMALLY DISSOCIABLE AND SOLUBLE GROUPS AND THE USE OF SUCH POLYMERS AS ORGANIC ELECTROLUMINESCENT MATERIALS MITSUBISHI CHEMICAL CORPORATION (JP) 2014-10-09 US disclosed
US-8795849-B2 Polymers containing thermally dissociable and soluble groups and the use of such polymers as organic electroluminescent materials MITSUBISHI CHEMICAL CORPORATION (JP) 2014-08-05 US disclosed
US-8795849-B2 Polymers containing thermally dissociable and soluble groups and the use of such polymers as organic electroluminescent materials MITSUBISHI CHEMICAL CORPORATION (JP) 2014-08-05 US disclosed
US-20110192464-A1 POLYMER, LUMINESCENT-LAYER MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT, SOLAR CELL ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING EACH OBTAINED USING THESE MITSUBISHI CHEMICAL CORPORATION (JP) 2011-08-11 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-20110192464-A1 POLYMER, LUMINESCENT-LAYER MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT, SOLAR CELL ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING EACH OBTAINED USING THESE LEF1, EPCAM, EBPL CYP1A2 4742/4885ERBB2 4212/4885FYN 4296/4885

“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.