SCHEMBL19862717

SCHEMBL19862717

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc(-c7ccccn7)cc(-c7ccccn7)c6)cc5)c5ccccc45)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.44
DHODH Q02127 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
METAP1 P53582 2/20 0.32
NPC1 O15118 1/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPK1 P28482 1/20 0.31
KDR P35968 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 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
SCHEMBL19862722 0.93 PDK2 (0.48) PDK2DHODHKDM4ELMNAMETAP1
SCHEMBL19862729 0.91 PDK2 (0.41) PDK2DHODHKDM4ELMNAMAPT
SCHEMBL24810921 0.90 PDK2 (0.44) PDK2DHODHKDM4ELMNAMAPT
SCHEMBL15977530 0.85 PDK2 (0.42) PDK2DHODHKDRBACE1
SCHEMBL15977823 0.84 PDK2 (0.44) PDK2DHODHKDRBACE1
SCHEMBL19862731 0.84 PDK2 (0.44) PDK2DHODHKDM4ENPC1KDR
SCHEMBL25474047 0.84 MEN1 (0.42) PDK2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL19862721 0.83 PDK2 (0.46) PDK2DHODHKDM4ENPC1BACE1
SCHEMBL15977860 0.83 PDK2 (0.40) PDK2DHODHKDM4ELMNAMAPT
SCHEMBL15977723 0.83 PDK2 (0.38) PDK2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190263735-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2019-08-29 US disclosed
US-10347843-B2 Organic electronic material GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD. (CN) 2019-07-09 US disclosed
US-20180171218-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-06-21 US disclosed
US-20180171218-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-06-21 US disclosed
US-20180047909-A1 ORGANIC ELECTRONIC MATERIAL GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-02-15 US disclosed
US-20180047909-A1 ORGANIC ELECTRONIC MATERIAL GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-02-15 US disclosed
US-20180047910-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-02-15 US disclosed
US-20180047910-A1 ORGANIC ELECTROLUMINESCENT DEVICE GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD . (CN) 2018-02-15 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 (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-20180047909-A1 ORGANIC ELECTRONIC MATERIAL OCIAD1, OCIAD2, EED PDK2 3037/4885DHODH 729/4885KDM4E 2521/4885
US-20190263735-A1 ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, CTNND1 PDK2 2848/4885DHODH 668/4885KDM4E 3296/4885
US-10347843-B2 Organic electronic material OCIAD1, OCIAD2, EED PDK2 3037/4885DHODH 729/4885KDM4E 2521/4885
US-20180047910-A1 ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, CTNND1 PDK2 2912/4885DHODH 747/4885KDM4E 2575/4885

“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.