SCHEMBL2933437

SCHEMBL2933437

CCCCCCC1N(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 1/20 0.46
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
CYP19A1 P11511 3/20 0.41
RORC P51449 1/20 0.41
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41

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
Bromide SCHEMBL11784708 0.93 SIGMAR1 (0.49) SIGMAR1MEN1ALDH1A1KMT2AKCNH2
Hydrochloric Acid SCHEMBL11786470 0.93 SIGMAR1 (0.52) SIGMAR1MEN1ALDH1A1KMT2AKCNH2
SCHEMBL3301169 0.81 CCR3 (0.49) SIGMAR1ALDH1A1
SCHEMBL23780325 0.81 SIGMAR1 (0.54) SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL14371826 0.80 SPHK2 (0.47) ALDH1A1KCNH2SPHK2SPHK1
SCHEMBL27708245 0.78 KCNH2 (0.50) SIGMAR1KCNH2
Bromide SCHEMBL11783739 0.77 KCNH2 (0.49) SIGMAR1ALDH1A1KCNH2
Hydrochloric Acid SCHEMBL11780436 0.77 KCNH2 (0.49) SIGMAR1KCNH2
SCHEMBL2932998 0.77 CCR3 (0.52) SIGMAR1ALDH1A1
SCHEMBL29744467 0.76 SIGMAR1 (0.47) SIGMAR1KCNH2

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-101605765-B Controlled release of reactive aldehydes and ketones from an equilibrated dynamic mixture FIRMENICH & CIE 2012-06-06 CN claimed
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
CN-101605765-A Controlled release of reactive aldehydes and ketones from an equilibrated dynamic mixture FIRMENICH & CIE (CH) 2009-12-16 CN 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
CN-101605765-B Controlled release of reactive aldehydes and ketones from an equilibrated dynamic mixture FIRMENICH & CIE 2012-06-06 CN disclosed
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
CN-101605765-A Controlled release of reactive aldehydes and ketones from an equilibrated dynamic mixture FIRMENICH & CIE (CH) 2009-12-16 CN 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 SIGMAR1 576/4885MEN1 4140/4885ALDH1A1 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.