SCHEMBL2933997

SCHEMBL2933997

CN(C)c1ccc(CN2CCN(Cc3ccc(N(C)C)cc3)C2/C=C/c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.49
RORC P51449 8/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1B1 Q16678 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL2933998 1.00 RELA (0.49) RELARORCALDH1A1KDM4EMAPT
SCHEMBL14373277 0.95 RORC (0.50) RELARORCALDH1A1KDM4EMAPT
SCHEMBL14373079 0.90 ALDH1A1 (0.48) RELARORCALDH1A1KDM4EMAPT
SCHEMBL2937252 0.85 SIGMAR1 (0.44) RORCALDH1A1RAB9AHTR2AHTR2C
SCHEMBL2937254 0.85 SIGMAR1 (0.44) RORCALDH1A1RAB9AHTR2AHTR2C
SCHEMBL14373274 0.73 RORC (0.58) RORCALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL14373256 0.70 ALDH1A1 (0.56) RORCALDH1A1KDM4E
SCHEMBL28298755 0.69 PDGFRB (0.56) RELAKDM4EMAPTNPC1RAB9A
SCHEMBL3845781 0.68 RELA (0.63) RELAALDH1A1KDM4EMAPTNPC1
SCHEMBL28329901 0.68 RELA (0.63) RELAALDH1A1KDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP claimed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US claimed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP claimed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO claimed
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP disclosed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US disclosed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP disclosed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 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-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES PKM, APEH, PLG RELA 757/4885RORC 3183/4885ALDH1A1 38/4885

“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.