SCHEMBL1782394

SCHEMBL1782394

CCCCCc1c(C=O)c(C)c(C(=O)OCC)n1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 5/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 2/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 3/20 0.33
TSHR P16473 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
SCHEMBL1783972 0.85
SCHEMBL1787366 0.84 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKDM4EALDH1A1MAPT
SCHEMBL12650842 0.80 SMN1; SMN2 (0.43) SMN1; SMN2LMNAKDM4EALDH1A1MAPT
SCHEMBL1787283 0.80 MAPT (0.45) SMN1; SMN2LMNAKDM4EALDH1A1MAPT
SCHEMBL20504192 0.77 SMN1; SMN2 (0.40) SMN1; SMN2LMNAKDM4EALDH1A1MAPT
SCHEMBL12651187 0.75 TSHR (0.43) SMN1; SMN2LMNAALDH1A1MAPK1CYP3A4
SCHEMBL18891004 0.75 SMN1; SMN2 (0.41) SMN1; SMN2LMNAKDM4EALDH1A1MAPT
SCHEMBL12607009 0.72
SCHEMBL7479270 0.69 KMT2A (0.36) SMN1; SMN2LMNAKDM4EALDH1A1MAPT
SCHEMBL7479274 0.69 KMT2A (0.36) SMN1; SMN2LMNAKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273901-B2 Process of forming a pyrrole compound Nanyang Technical University (SG) 2012-09-25 US disclosed
US-8273901-B2 Process of forming a pyrrole compound Nanyang Technical University (SG) 2012-09-25 US disclosed
US-20110124881-A1 PROCESS OF FORMING A PYRROLE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-05-26 US disclosed
US-20110124881-A1 PROCESS OF FORMING A PYRROLE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-05-26 US 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-20110124881-A1 PROCESS OF FORMING A PYRROLE COMPOUND OXER1, OGDH, OPRD1 SMN1; SMN2 1650/4885LMNA 3028/4885KDM4E 1362/4885

“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.