SCHEMBL1787340

SCHEMBL1787340

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
CYP1A2 P05177 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1783974 0.79 ALDH1A1 (0.35) HTTCYP1A2MEN1KMT2AALDH1A1
SCHEMBL1788002 0.78 HSD17B10 (0.33) HTTALDH1A1KDM4E
SCHEMBL1785884 0.75
SCHEMBL26539459 0.60 MEN1 (0.37) MEN1KMT2AALDH1A1KDM4E
SCHEMBL15959641 0.58 KMT2A (0.38) CYP1A2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL599510 0.58 IGF1R (0.34) MEN1KMT2AALDH1A1CYP3A4KDM4E
SCHEMBL12080026 0.58 IGF1R (0.34) MEN1KMT2AALDH1A1CYP3A4KDM4E
SCHEMBL10682786 0.57 MAPT (0.36) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10975247 0.57 KDM4E (0.35) MEN1KMT2AALDH1A1KDM4E
SCHEMBL599509 0.56 L3MBTL1 (0.36) MEN1KMT2AALDH1A1KDM4E

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 6 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-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
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 HTT 3191/4885CYP1A2 60/4885MEN1 4754/4885

“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.