SCHEMBL1127993

SCHEMBL1127993

CCCCCCc1ccc2c(c1)c1cc(CCCCCC)ccc1n2CC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.54
RORC P51449 1/20 0.54
RORB Q92753 1/20 0.54
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
HSD17B10 Q99714 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
S1PR1 P21453 1/20 0.43
OXER1 Q8TDS5 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 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
SCHEMBL1128427 0.76 RORA (0.60) RORARORCRORBPPARAHSD17B10
SCHEMBL13616802 0.74 RORA (0.59) RORARORCRORBMAPTPPARA
SCHEMBL1128000 0.73 RORA (0.60) RORARORCRORBHSD17B10PSEN1
SCHEMBL27857846 0.73 RORA (0.43) RORARORCRORBPPARAPPARG
SCHEMBL1127961 0.72 RORA (0.62) RORARORCRORBPSEN1PSEN2
SCHEMBL25169991 0.72 FAAH (0.59) MAPTHSD17B10S1PR1KDM4EALDH1A1
SCHEMBL26239962 0.72 FAAH (0.55) MAPTHSD17B10S1PR1KDM4EALDH1A1
SCHEMBL26239688 0.72 ALDH1A1 (0.64) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL23167611 0.72 ALDH1A1 (0.64) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL26239880 0.72 FAAH (0.55) MAPTHSD17B10S1PR1KDM4EALDH1A1

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
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
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.