SCHEMBL2936024

SCHEMBL2936024

c1ccc(CN2CCCN(Cc3ccccc3)C2c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
MDM2 Q00987 1/20 0.61
RECQL P46063 1/20 0.53
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL819498 0.92 TP53 (0.70) TP53MDM2RECQLSIGMAR1
SCHEMBL14373050 0.88 TP53 (0.61) TP53MDM2
Benzaldehyde SCHEMBL27795442 0.87 TP53 (0.50) TP53MDM2RECQL
SCHEMBL14124508 0.84 TP53 (0.60) TP53MDM2SIGMAR1
SCHEMBL7107798 0.81 TP53 (0.58) TP53MDM2SIGMAR1
SCHEMBL22201130 0.78 CHRNB2 (0.53) TP53MDM2
SCHEMBL2172790 0.78 CHRNB2 (0.53) TP53MDM2
SCHEMBL14373032 0.78 CYP1A2 (0.47) TP53MDM2
SCHEMBL24365232 0.77 KDM4E (0.56)
SCHEMBL11488897 0.77 KDM4E (0.56)

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 6 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 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 TP53 3307/4885MDM2 2117/4885RECQL 1788/4885

“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.