SCHEMBL19998000

SCHEMBL19998000

c1ccc(-c2cc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6n(-c6ccccc6)c5c43)nc3cccnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.46
EGFR P00533 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3R2 O00459 1/20 0.33
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL19998010 0.88 EGFR (0.46) EGFRALDH1A1KDM4EHPGDLMNA
SCHEMBL19998011 0.86 EGFR (0.44) EGFRALDH1A1KDM4EHPGDLMNA
SCHEMBL19986133 0.85 TOP1 (0.42) TOP1EGFRALDH1A1KDM4EHPGD
SCHEMBL19985982 0.85 TOP1 (0.42) TOP1EGFRALDH1A1KDM4EHPGD
SCHEMBL19986203 0.84 TOP1 (0.41) TOP1EGFRALDH1A1KDM4EHPGD
SCHEMBL19986010 0.84 TOP1 (0.41) TOP1EGFRALDH1A1KDM4EHPGD
SCHEMBL19997999 0.81 EGFR (0.38) EGFRALDH1A1KDM4EHPGDLMNA
SCHEMBL19986134 0.80 TOP1 (0.37) TOP1
SCHEMBL19986024 0.80 TOP1 (0.37) TOP1
SCHEMBL19988464 0.78 TOP1 (0.43) TOP1EGFRALDH1A1KDM4EHPGD

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 2 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-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 TOP1 3587/4885EGFR 1144/4885ALDH1A1 57/4885
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 TOP1 3587/4885EGFR 1144/4885ALDH1A1 57/4885

“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.