SCHEMBL17853233

SCHEMBL17853233

CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.33
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ALK Q9UM73 4/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ANO1 Q5XXA6 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL17733273 0.99 ALK (0.32) PGRLPLLIPGALKMAPK1
SCHEMBL17733255 0.97 PGR (0.33) PGRLPLLIPGALKPLA2G2A
SCHEMBL17853239 0.97 PGR (0.33) PGRLPLLIPGALKPLA2G2A
SCHEMBL17853247 0.95 PGR (0.32) PGRLPLLIPGALKPLA2G2A
SCHEMBL17733384 0.94 CASP3 (0.31) PGRALKPLA2G2APLA2G4AHSP90AA1
SCHEMBL17853223 0.94 ALK (0.34) PGRALKPLA2G2APLA2G4AKMT2A
SCHEMBL17733514 0.94 ALK (0.34) PGRALKPLA2G2APLA2G4AKMT2A
SCHEMBL17733351 0.94 ALK (0.34) PGRALKPLA2G2APLA2G4AKMT2A
SCHEMBL24406478 0.94 ALK (0.31) PGRLPLLIPGALK
SCHEMBL24406552 0.93 PGR (0.32) PGRLPLLIPGALK

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-20160181526-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181526-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-20160181526-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE AOC2, PNMT, TYR PGR 2469/4885LPL 2791/4885LIPG 2121/4885

“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.