SCHEMBL17349196

SCHEMBL17349196

c1ccc(-n2c3ncccc3c3cccc(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
METAP2 P50579 1/20 0.35
MAPK10 P53779 5/20 0.34
MAPK9 P45984 4/20 0.34
FEN1 P39748 1/20 0.34
PDE4A P27815 5/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
MCL1 Q07820 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 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
SCHEMBL18958151 0.96 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL17348777 0.94 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL17349631 0.92 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL17349157 0.91 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL17348666 0.90 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL18958260 0.90 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL17348843 0.89 KDM4E (0.40) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL17348613 0.89 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL20149462 0.89 KDM4E (0.44) ALDH1A1KDM4EATML3MBTL1MAPK10
SCHEMBL20149460 0.89 KDM4E (0.44) ALDH1A1KDM4EATML3MBTL1MAPK10

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-20210257558-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO., LTD (KR) 2021-08-19 US disclosed
US-20210074926-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO LTD (KR) 2021-03-11 US disclosed
US-20200194687-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO LTD (KR) 2020-06-18 US disclosed
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 US disclosed
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 US disclosed
WO-2015190867-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-12-17 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-20200194687-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 ALDH1A1 956/4885TSHR 4810/4885CYP2C19 591/4885
US-20210074926-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 ALDH1A1 956/4885TSHR 4810/4885CYP2C19 591/4885
US-20210257558-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 ALDH1A1 956/4885TSHR 4810/4885CYP2C19 591/4885
US-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF OR10J3, OR51E2, ETV6 ALDH1A1 956/4885TSHR 4810/4885CYP2C19 591/4885

“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.