SCHEMBL4973152

SCHEMBL4973152

CC1(Cl)OC(=O)C=C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HK2 P52789 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 3/20 0.34
SIGMAR1 Q99720 3/20 0.33
POLB P06746 3/20 0.33
USP2 O75604 2/20 0.33
RECQL P46063 2/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP1A2 P05177 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
PRTN3 P24158 1/20 0.33

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
SCHEMBL4651083 0.78 SMN1; SMN2 (0.40) SMN1; SMN2HPGDKDM4EHK2NPC1
SCHEMBL18713910 0.78 SMN1; SMN2 (0.40) SMN1; SMN2HPGDKDM4EHK2NPC1
SCHEMBL8709953 0.72 CFTR (0.43) SMN1; SMN2HPGDKDM4EHK2MEN1
SCHEMBL4650543 0.68 SMN1; SMN2 (0.38) SMN1; SMN2HPGDKDM4EHK2MEN1
SCHEMBL9965989 0.67 SIGMAR1 (0.59) SMN1; SMN2SIGMAR1POLBDRD2ALDH1A1
SCHEMBL18530070 0.64 ALDH1A1 (0.43) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL9875527 0.62 SIGMAR1 (0.51) SMN1; SMN2HPGDKDM4EMEN1KMT2A
SCHEMBL31678744 0.62 NPC1 (0.51) SMN1; SMN2HPGDNPC1RAB9AMEN1
SCHEMBL3898053 0.59 ALDH1A1 (0.42) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28548234 0.56 HCAR2 (0.53) SMN1; SMN2HCAR3HCAR2CYP1A2ALDH1A1

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
US-20170096391-A1 NOVEL LACTAMS BIOSIGNAL LIMITED (AU) 2017-04-06 US disclosed
US-20170096391-A1 NOVEL LACTAMS BIOSIGNAL LIMITED (AU) 2017-04-06 US disclosed
US-20170096391-A1 NOVEL LACTAMS BIOSIGNAL LIMITED (AU) 2017-04-06 US disclosed
US-9586901-B2 Lactams UNILEVER PLC (GB) 2017-03-07 US disclosed
US-9586901-B2 Lactams UNILEVER PLC (GB) 2017-03-07 US disclosed
US-9586901-B2 Lactams UNILEVER PLC (GB) 2017-03-07 US disclosed
US-20130190377-A1 Novel Lactams BIOSIGNAL LIMITED (AU) 2013-07-25 US disclosed
US-20130190377-A1 Novel Lactams BIOSIGNAL LIMITED (AU) 2013-07-25 US disclosed
US-20130190377-A1 Novel Lactams BIOSIGNAL LIMITED (AU) 2013-07-25 US disclosed
EP-1981844-A1 NOVEL LACTAMS Biosignal Limited (AU) 2008-10-22 EP disclosed
WO-2007085042-A1 NOVEL LACTAMS BIOSIGNAL LIMITED (AU) 2007-08-02 WO disclosed
WO-2007085042-A1 NOVEL LACTAMS BIOSIGNAL LIMITED (AU) 2007-08-02 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 (2 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-20130190377-A1 Novel Lactams SULT1E1, PGLS, Q6ZSR9 SMN1; SMN2 3847/4885HPGD 2797/4885KDM4E 828/4885
US-20170096391-A1 NOVEL LACTAMS SULT1E1, PGLS, Q6ZSR9 SMN1; SMN2 3847/4885HPGD 2797/4885KDM4E 828/4885

“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.