SCHEMBL2937254

SCHEMBL2937254

C(=CC1N(Cc2ccccc2)CCN1Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
RORC P51449 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 1/20 0.41
KDM1A O60341 1/20 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
SCHEMBL2937252 1.00 SIGMAR1 (0.44) SIGMAR1HTR2AHTR2CHTR2BRAB9A
SCHEMBL14373277 0.85 RORC (0.50) SIGMAR1RAB9AALDH1A1RORC
SCHEMBL2933998 0.85 RELA (0.49) SIGMAR1HTR2AHTR2CHTR2BRAB9A
SCHEMBL2933997 0.85 RELA (0.49) SIGMAR1HTR2AHTR2CHTR2BRAB9A
SCHEMBL14373079 0.80 ALDH1A1 (0.48) RAB9AALDH1A1RORC
SCHEMBL5563432 0.79 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BRAB9A
SCHEMBL5563430 0.79 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BRAB9A
SCHEMBL14371851 0.76 ALDH1A1 (0.53) ALDH1A1BACE1
SCHEMBL819498 0.68 TP53 (0.70) SIGMAR1ACHETP53MDM2RORC
Hydrochloric Acid SCHEMBL11780582 0.68 ACHE (0.53) SIGMAR1ACHETP53MDM2

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 576/4885HTR2A 417/4885HTR2C 618/4885

“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.