SCHEMBL19997976

SCHEMBL19997976

c1ccc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
RXFP1 Q9HBX9 3/20 0.34
MAPT P10636 2/20 0.34
GPR3 P46089 1/20 0.33
TP53 P04637 3/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
BRCA1 P38398 1/20 0.32
PDE1B Q01064 1/20 0.31

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
SCHEMBL21109026 0.93 ATM (0.41) ATMKDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL21108812 0.92 ATM (0.42) ATMKDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL18435959 0.92 ATM (0.42) ATMKDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL17990301 0.90 ATM (0.38) ATMKDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL17689951 0.89 ATM (0.44) ATMKDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL19046683 0.88 GPR3 (0.36) KDM4EMEN1KMT2ARXFP1MAPT
SCHEMBL14924652 0.87 HSD17B10 (0.35) ATMKDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL17433079 0.87 ATM (0.39) ATMKDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL18058136 0.87 ATM (0.36) ATMKDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL15462297 0.86 ATM (0.46) ATMKDM4EL3MBTL1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 US disclosed
US-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 US disclosed
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-29 US disclosed
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-29 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-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device OXER1, OCIAD1, OR10J3 ATM 3788/4885KDM4E 3867/4885L3MBTL1 4497/4885
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 ATM 3788/4885KDM4E 3867/4885L3MBTL1 4497/4885

“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.