SCHEMBL1785133

SCHEMBL1785133

CCOC(=O)c1c(C)c(C=O)c(C)n1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 5/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 2/20 0.41
CYP3A4 P08684 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 3/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12651187 0.86 TSHR (0.43) SMN1; SMN2LMNAALDH1A1CYP3A4TSHR
SCHEMBL1787366 0.84 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL1783974 0.83 ALDH1A1 (0.35) KMT2ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL1786027 0.80 KMT2A (0.49) KMT2ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL1782394 0.78 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL1787340 0.77 HTT (0.33) KMT2AKDM4EALDH1A1CYP3A4HTT
SCHEMBL1787283 0.74 MAPT (0.45) KMT2ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL12650842 0.73 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL1785450 0.71 SMN1; SMN2 (0.34) SMN1; SMN2LMNAKDM4EALDH1A1MAPT
SCHEMBL18891004 0.71 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2LMNAKDM4EALDH1A1

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 KMT2A 1604/4885SMN1; SMN2 1650/4885LMNA 3028/4885

“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.