SCHEMBL19397405

SCHEMBL19397405

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)nc(-c4cccc5ccccc45)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 6/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 6/20 0.46

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
SCHEMBL19397510 0.98 ALDH1A1 (0.46) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL19397620 0.97 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL10051315 0.97 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL19397625 0.94 ENPP3 (0.46) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL19397514 0.94 MCL1 (0.46) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL19397409 0.93 ENPP3 (0.51) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL18732401 0.93 MAPT (0.53) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL22309632 0.93 MEN1 (0.52) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL22309444 0.93 MEN1 (0.52) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL22308755 0.93 MEN1 (0.52) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2

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-10580995-B2 Compounds for organic electroluminescent components and organic electroluminescent devices using the same E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2020-03-03 US disclosed
US-20170279054-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT COMPONENTS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2017-09-28 US disclosed
US-20170279054-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT COMPONENTS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2017-09-28 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 (2 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-10580995-B2 Compounds for organic electroluminescent components and organic electroluminescent devices using the same C1S, AOC2, L1CAM ALDH1A1 129/4885HPGD 3527/4885MAPT 3242/4885
US-20170279054-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT COMPONENTS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME L1CAM, C1S, F10 ALDH1A1 226/4885HPGD 4110/4885MAPT 3912/4885

“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.