SCHEMBL17828830

SCHEMBL17828830

c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)cc4)c4ccc5ccccc5c4n3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK10 P53779 3/20 0.36
MAPK9 P45984 2/20 0.36
MAPK8 P45983 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL17828885 1.00 F2 (0.39) F2F10PRSS1CYP1A1CYP1B1
SCHEMBL17828855 0.94 CYP1A1 (0.37) F2F10PRSS1CYP1A1CYP1B1
SCHEMBL17828883 0.92 CYP1A1 (0.41) F2F10PRSS1CYP1A1CYP1B1
SCHEMBL17828808 0.92 CYP1A1 (0.41) F2F10PRSS1CYP1A1CYP1B1
SCHEMBL17828930 0.91 ATM (0.38) F2F10PRSS1CYP1A1CYP1B1
SCHEMBL17828898 0.91 CYP1A1 (0.40) F2F10PRSS1CYP1A1CYP1B1
SCHEMBL17828835 0.91 CYP1A1 (0.40) F2F10PRSS1CYP1A1CYP1B1
SCHEMBL18026407 0.91 ATM (0.39) F2F10PRSS1CYP1A1CYP1B1
SCHEMBL17828813 0.90 ATM (0.38) F2F10PRSS1CYP1A1CYP1B1
SCHEMBL17828868 0.90 ATM (0.39) F2F10PRSS1CYP1A1CYP1B1

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-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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 (1 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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 F2 177/4885F10 419/4885PRSS1 3377/4885

“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.