SCHEMBL13557553

SCHEMBL13557553

CC1(C)c2ccccc2Oc2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccccc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.33
BACE1 P56817 2/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALPG P10696 1/20 0.30
THRB P10828 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL13557552 0.95 BACE1 (0.34) BACE1KMT2AMEN1
SCHEMBL22310075 0.91 PGR (0.34) PGRKMT2AMEN1MAPTNPC1
SCHEMBL10331567 0.91 PGR (0.35) PGRKMT2AMEN1MAPTNPC1
SCHEMBL13557557 0.91 BACE1 (0.37) PGRBACE1KMT2AMEN1HTT
SCHEMBL13557563 0.90 BACE1 (0.33) BACE1KMT2AMEN1MAPTNPC1
SCHEMBL10331568 0.88 PGR (0.34) PGRMAPTSMN1; SMN2ALDH1A1
SCHEMBL18159664 0.88 MEN1 (0.37) PGRKMT2AMEN1MAPTNPC1
SCHEMBL10820306 0.88 PGR (0.41) PGRKMT2AMEN1MAPTNPC1
SCHEMBL10331566 0.88 PGR (0.41) PGRKMT2AMEN1MAPTNPC1
SCHEMBL13557712 0.88 PGR (0.41) PGRKMT2AMEN1MAPTNPC1

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-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 US disclosed
US-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 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-20120273766-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DDC, ODC1, TYR PGR 1721/4885BACE1 3697/4885KMT2A 825/4885

“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.