SCHEMBL1895571

SCHEMBL1895571

O=CCC(OCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
AOC3 Q16853 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TACR1 P25103 2/20 0.41
TSHR P16473 1/20 0.39
IDO1 P14902 1/20 0.36
RCE1 Q9Y256 1/20 0.36
CCNB2 O95067 1/20 0.36

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
SCHEMBL16177726 0.83 CHRNB2 (0.46) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1
SCHEMBL16177582 0.82 CHRNB2 (0.49) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1
SCHEMBL4991720 0.80 L3MBTL1 (0.41) KMT2AHTTALDH1A1
SCHEMBL22325317 0.79 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL3919240 0.79 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL27817918 0.78 SLC1A3 (0.38) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1
SCHEMBL25419166 0.77 GSR (0.40) CYP2D6CYP2C19KMT2ASLC6A2SLC6A4
SCHEMBL11577777 0.76 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL27300387 0.76 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL17311055 0.76 SLC6A4 (0.37) MEN1CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935669-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2011-05-03 US claimed
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA 2009-07-16 US claimed
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 EP claimed
US-20040220074-A1 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2004-11-04 US claimed
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP claimed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 WO claimed
US-7935669-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2011-05-03 US disclosed
US-7723286-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2010-05-25 US disclosed
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA 2009-07-16 US disclosed
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 EP disclosed
US-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 US disclosed
US-20040220074-A1 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2004-11-04 US disclosed
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP disclosed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 WO disclosed
EP-0230242-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-29 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-20060128613-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R CHRNB2 350/4885CHRNA4 133/4885SLC1A3 1263/4885
US-20040220074-A1 Compounds for a controlled release of active molecules ACLY, PTGES, NOTUM CHRNB2 3852/4885CHRNA4 3943/4885SLC1A3 3947/4885
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES ACLY, PTGES, PPOX CHRNB2 2724/4885CHRNA4 3245/4885SLC1A3 4144/4885

“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.