SCHEMBL17470322

SCHEMBL17470322

c1ccc(N(c2ccc(-c3ccc(-c4ccccc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc4)cc3)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
GSTP1 P09211 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ACMSD Q8TDX5 1/20 0.37
ALOX5 P09917 2/20 0.36
PTGES O14684 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL17811587 0.98 ESR1 (0.39) ESR1ESR2GSTP1ALDH1A1L3MBTL1
SCHEMBL1180087 0.94 GSTP1 (0.44) ESR1ESR2GSTP1ALDH1A1L3MBTL1
SCHEMBL31196694 0.94 GSTP1 (0.44) ESR1ESR2GSTP1ALDH1A1L3MBTL1
SCHEMBL14111981 0.93 ESR1 (0.45) ESR1ESR2GSTP1ALDH1A1L3MBTL1
SCHEMBL22129857 0.93 ESR1 (0.45) ESR1ESR2GSTP1ALDH1A1L3MBTL1
SCHEMBL24177541 0.93 ESR1 (0.45) ESR1ESR2GSTP1ALDH1A1L3MBTL1
SCHEMBL13658669 0.93 ESR1 (0.45) ESR1ESR2GSTP1ALDH1A1L3MBTL1
SCHEMBL22793717 0.93 ESR1 (0.45) ESR1ESR2GSTP1ALDH1A1L3MBTL1
SCHEMBL12971102 0.93 ESR1 (0.45) ESR1ESR2GSTP1ALDH1A1L3MBTL1
SCHEMBL13657890 0.93 ESR1 (0.45) ESR1ESR2GSTP1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10693078-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-06-23 US disclosed
US-10276800-B2 Organic electroluminescence device having at least an a node, a hole injection layer, a first hole transport layer. A second hole transport layer a luminous layer, an electron transport layer, and a cathode HODOGAYA CHEMICAL CO., LTD. (JP) 2019-04-30 US disclosed
US-20170317291-A1 ORGANIC ELECTROLUMINESCENCE DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2017-11-02 US disclosed
US-20170207395-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2017-07-20 US disclosed
US-20170207395-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2017-07-20 US disclosed
WO-2016013184-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 2016-01-28 WO 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 (4 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-10276800-B2 Organic electroluminescence device having at least an a node, a hole injection layer, a first hole transport layer. A second hole transport layer a luminous layer, an electron transport layer, and a cathode SLC29A1, SLC29A2, NUDT1 ESR1 183/4885ESR2 903/4885GSTP1 3830/4885
US-10693078-B2 Organic electroluminescent device KCNN2, SLC7A5, KCNH3 ESR1 175/4885ESR2 364/4885GSTP1 4413/4885
US-20170317291-A1 ORGANIC ELECTROLUMINESCENCE DEVICE NUDT1, SLCO4C1, SLC7A5 ESR1 167/4885ESR2 816/4885GSTP1 3603/4885
US-20170207395-A1 ORGANIC ELECTROLUMINESCENT DEVICE KCNN2, SLC7A5, KCNH3 ESR1 175/4885ESR2 364/4885GSTP1 4413/4885

“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.