SCHEMBL22158667

SCHEMBL22158667

Fc1cccc(F)c1-c1c(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc(C(F)(F)F)cc1-n1c2ccc(-c3cccc(-c4ccccc4)n3)cc2c2cc(-c3cccc(-c4ccccc4)n3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSS P25774 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACHE P22303 2/20 0.33
MAT2A P31153 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
KMO O15229 1/20 0.33
TOP1 P11387 2/20 0.32
TRPA1 O75762 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
SCHEMBL22158662 0.97 CYP11B2 (0.37) CYP11B2RAB9AMEN1KMT2ACTSS
SCHEMBL22158665 0.91 CYP11B2 (0.39) CYP11B2RAB9AMEN1KMT2ACTSS
SCHEMBL22156794 0.90 CYP11B2 (0.37) CYP11B2RAB9AMEN1KMT2ACTSS
SCHEMBL22158632 0.88 KIF11 (0.39) TDP1MAT2ANR3C1PGR
SCHEMBL22157750 0.88 CYP11B2 (0.35) CYP11B2RAB9AMEN1KMT2ACTSS
SCHEMBL22158675 0.88 TDP1 (0.37) CYP11B2RAB9AMEN1KMT2ACTSS
SCHEMBL22156769 0.88 ABCG2 (0.36) TDP1MAT2AMAPTNR3C1PGR
SCHEMBL22562468 0.87 RAB9A (0.38) CYP11B2RAB9AMEN1KMT2ACTSS
SCHEMBL22157736 0.86 TGFBR1 (0.36) TDP1TOP1
SCHEMBL22562392 0.85 ICMT (0.37) RAB9AMEN1KMT2ACTSSTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 CYP11B2 531/4885RAB9A 1997/4885MEN1 3687/4885

“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.