SCHEMBL1127961

SCHEMBL1127961

CCCCCCc1ccc2c(c1)c1cc(CCCCCC)ccc1n2CCCN

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.62
RORC P51449 2/20 0.62
RORB Q92753 2/20 0.62
HTR2A P28223 1/20 0.51
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
HTR1A P08908 2/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
CNR2 P34972 3/20 0.47
PGR P06401 2/20 0.46
TLR8 Q9NR97 6/20 0.44
SPNS2 Q8IVW8 1/20 0.43

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
SCHEMBL1128000 0.93 RORA (0.60) RORARORCRORBHTR2APSEN1
SCHEMBL1128427 0.84 RORA (0.60) RORARORCRORBPSEN1PSEN2
SCHEMBL13616802 0.81 RORA (0.59) RORARORCRORBHTR2APSEN1
SCHEMBL28031068 0.81 RORA (0.56) RORARORCRORBPSEN1PSEN2
SCHEMBL9707169 0.81 HTR2A (0.53) RORARORCRORBHTR2APSEN1
SCHEMBL9707179 0.81 HTR2A (0.53) RORARORCRORBHTR2APSEN1
SCHEMBL9707123 0.81 HTR2A (0.53) RORARORCRORBHTR2APSEN1
SCHEMBL9707121 0.81 HTR2A (0.53) RORARORCRORBHTR2APSEN1
SCHEMBL31442520 0.78 RORA (0.53) RORARORCRORBPSEN1PSEN2
SCHEMBL14141614 0.77 RORA (1.00) RORARORCRORBCNR2PGR

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.