SCHEMBL16558705

SCHEMBL16558705

c1ccc(N(c2ccccc2)c2cccc(-c3cc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c4ccc5c(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)c6ccc3c4c65)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
BRD4 O60885 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CRHBP P24387 1/20 0.32
ATM Q13315 1/20 0.32
CRHR2 Q13324 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
SCHEMBL2208703 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL12700373 0.87 CDK4 (0.32) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL12433936 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL26463284 0.84 CYP1A2 (0.37) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL12700367 0.84 KDM4E (0.33) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL9971798 0.83 HPGD (0.38) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL13658706 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL9888959 0.81 CRHBP (0.42) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL12433938 0.80 HSD17B1 (0.35) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2
SCHEMBL12433944 0.80 HSD17B1 (0.35) ALDH1A1KDM4EL3MBTL1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10804469-B2 Charge transport material, organic electroluminescent element, and illumination device, display device, or light-emitting device characterized by using said element UDC IRELAND LIMITED (IE) 2020-10-13 US disclosed
US-20150069332-A1 CHARGE TRANSPORT MATERIAL, OGANIC ELECTROLUMINESCENT ELEMENT, AND ILLUMINATION DEVICE, DISPLAY DEVICE, OR LIGHT-EMITTING DEVICE CHARACTERIZED BY USING SAID ELEMENT UDC IRELAND LIMITED (IE) 2015-03-12 US disclosed
US-20150069332-A1 CHARGE TRANSPORT MATERIAL, OGANIC ELECTROLUMINESCENT ELEMENT, AND ILLUMINATION DEVICE, DISPLAY DEVICE, OR LIGHT-EMITTING DEVICE CHARACTERIZED BY USING SAID ELEMENT UDC IRELAND LIMITED (IE) 2015-03-12 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-10804469-B2 Charge transport material, organic electroluminescent element, and illumination device, display device, or light-emitting device characterized by using said element ITGAL, ITGA1, ITGB1 ALDH1A1 1035/4885KDM4E 3242/4885L3MBTL1 250/4885

“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.