SCHEMBL3424748

SCHEMBL3424748

CC(C)(C(=O)N(CCO)CCO)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MLYCD O95822 1/20 0.34
CTSD P07339 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
SLC29A1 Q99808 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12788597 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TSHRMAPK1KDM4E
SCHEMBL9680431 0.69 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL1706642 0.69 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL12928715 0.69 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL13052083 0.68 OPRM1 (0.43) SMN1; SMN2ALDH1A1TSHRMAPK1POLB
SCHEMBL11923112 0.68 MAPT (0.41) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL12156461 0.68 KDM4E (0.47) SMN1; SMN2ALDH1A1TSHRMAPK1KDM4E
Hydrochloric Acid SCHEMBL25407374 0.67 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL4256867 0.67 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TSHRMAPK1USP2
SCHEMBL31302979 0.67 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TSHRMAPK1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664629-B1 Functionalised photoinitiators BASF SE (DE) 2014-11-12 EP disclosed
EP-1711862-B1 FUNCTIONALIZED PHOTOINITIATORS BASF SE (DE) 2014-09-10 EP disclosed
EP-2664629-A1 Functionalised photoinitiators Ciba Holding Inc. (CH) 2013-11-20 EP disclosed
US-7732504-B2 Functionalized photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-06-08 US disclosed
US-20080021126-A1 Functionalized Photoinitiators IGM GROUP B.V. (NL) 2008-01-24 US disclosed
EP-1711862-A2 FUNCTIONALIZED PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2006-10-18 EP disclosed
WO-2005076074-A2 FUNCTIONALIZED PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-08-18 WO disclosed
US-20040068110-A1 Novel morpholinoketone derivatives, and preparation process and uses of the same CHIU CHINGFAN CHRIS 2004-04-08 US disclosed
US-20030225179-A1 Novel morpholinoketone derivatives, and preparation process and uses of the same CHIU CHINGFAN CHRIS 2003-12-04 US disclosed
EP-1357117-A2 Novel aminoketone derivatives and preparation process and uses of the same as photoinitiators Chiu, Chingfan Chris (TW) 2003-10-29 EP 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 (3 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-20080021126-A1 Functionalized Photoinitiators PPOX, TYR, CYP1A1 SMN1; SMN2 4226/4885ALDH1A1 39/4885TSHR 2434/4885
US-20030225179-A1 Novel morpholinoketone derivatives, and preparation process and uses of the same MITF, DHPS, DTYMK SMN1; SMN2 1672/4885ALDH1A1 1250/4885TSHR 4814/4885
US-20040068110-A1 Novel morpholinoketone derivatives, and preparation process and uses of the same MITF, DHPS, DTYMK SMN1; SMN2 1672/4885ALDH1A1 1250/4885TSHR 4814/4885

“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.