SCHEMBL1128427

SCHEMBL1128427

CCCCCCc1ccc2c(c1)c1cc(CCCCCC)ccc1n2CCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.60
RORC P51449 2/20 0.60
RORB Q92753 2/20 0.60
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
PGR P06401 2/20 0.48
UNG P13051 2/20 0.47
PPARA Q07869 1/20 0.46
CNR2 P34972 3/20 0.45
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45

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
SCHEMBL9707135 0.88 PSEN1 (0.51) RORARORCRORBPSEN1PSEN2
SCHEMBL9707150 0.88 PSEN1 (0.51) RORARORCRORBPSEN1PSEN2
SCHEMBL9707182 0.88 PSEN1 (0.51) RORARORCRORBPSEN1PSEN2
SCHEMBL1128000 0.85 RORA (0.60) RORARORCRORBPSEN1PSEN2
SCHEMBL1127961 0.84 RORA (0.62) RORARORCRORBPSEN1PSEN2
SCHEMBL13616802 0.82 RORA (0.59) RORARORCRORBPSEN1PSEN2
SCHEMBL28031068 0.79 RORA (0.56) RORARORCRORBPSEN1PSEN2
SCHEMBL2216141 0.77 RORA (0.61) RORARORCRORBPSEN1PSEN2
SCHEMBL20760749 0.77 RORA (0.61) RORARORCRORBPSEN1PSEN2
SCHEMBL1127993 0.76 RORA (0.54) RORARORCRORBPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036992-B Switchable special effect substances BASF SE 2014-11-26 CN disclosed
US-20140034623-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-02-06 US disclosed
US-20140034623-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-02-06 US disclosed
EP-2283021-B1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-01-08 EP disclosed
EP-2283021-B1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2014-01-08 EP disclosed
US-8586745-B2 Switchable special effect substances BASF SE (DE) 2013-11-19 US disclosed
US-8586745-B2 Switchable special effect substances BASF SE (DE) 2013-11-19 US disclosed
CN-102036992-A Switchable special effect substances BASF SE 2011-04-27 CN disclosed
US-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-03-10 US disclosed
US-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-03-10 US disclosed
EP-2283021-A2 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2011-02-16 EP disclosed
WO-2009141288-A2 SWITCHABLE SPECIAL EFFECT SUBSTANCES BASF SE (DE) 2009-11-26 WO 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-20110060113-A1 SWITCHABLE SPECIAL EFFECT SUBSTANCES PPARG, PTGER4, NR2E3 RORA 174/4885RORC 431/4885RORB 215/4885

“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.