SCHEMBL4133838

SCHEMBL4133838

COc1cnc(COC(C)=O)cc1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 2/20 0.35
GSK3B P49841 2/20 0.35
CSNK1G2 P78368 2/20 0.35
CYP3A4 P08684 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
DPP4 P27487 2/20 0.35
MYC P01106 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
TNFSF11 O14788 1/20 0.33
NNMT P40261 1/20 0.33
MAPK1 P28482 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
SCHEMBL8683298 0.88 HTT (0.39) SMN1; SMN2ALDH1A1CYP3A4KDM4EPOLB
SCHEMBL9784763 0.88 SMN1; SMN2 (0.37) SMN1; SMN2RXFP1ALDH1A1CYP3A4TNKS2
SCHEMBL9686722 0.87 SMN1; SMN2 (0.40) SMN1; SMN2RXFP1ALDH1A1CYP3A4TNKS2
SCHEMBL15273810 0.83 ALDH1A1 (0.38) SMN1; SMN2RXFP1ALDH1A1TNKS2
SCHEMBL15760089 0.81 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1CYP3A4KDM4EMAPK1
SCHEMBL24047005 0.81 SMN1; SMN2 (0.36) SMN1; SMN2RXFP1ALDH1A1CYP3A4TNKS2
SCHEMBL25259332 0.80 TNKS2 (0.37) SMN1; SMN2RXFP1ALDH1A1TNKS2POLB
SCHEMBL9784701 0.77 TSHR (0.39) SMN1; SMN2ALDH1A1CYP3A4DPP4KDM4E
SCHEMBL4142722 0.76 PDE4A (0.38) ALDH1A1DPP4POLBATP4AATP4B
SCHEMBL1318181 0.76 NOTUM (0.38) ALDH1A1CYP3A4KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 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 (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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 SMN1; SMN2 4383/4885RXFP1 926/4885ALDH1A1 3789/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 SMN1; SMN2 4353/4885RXFP1 784/4885ALDH1A1 3409/4885

“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.