SCHEMBL1783524

SCHEMBL1783524

CC(=O)ON=C(C(C)=O)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
THPO P40225 1/20 0.33
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
THRB P10828 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8764812 0.87 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL8764815 0.87 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL1424739 0.81 ALDH1A1 (0.32) ALDH1A1PKM
SCHEMBL15829742 0.77 TSHR (0.43) TSHRALDH1A1THPOBLMPMP22
SCHEMBL195594 0.77 TSHR (0.43) TSHRALDH1A1THPOBLMPMP22
SCHEMBL195595 0.77 TSHR (0.43) TSHRALDH1A1THPOBLMPMP22
SCHEMBL8343382 0.76 ALDH1A1 (0.43) TSHRALDH1A1PKM
SCHEMBL128484 0.75
SCHEMBL1424736 0.75 ALDH1A1 (0.39) TSHRALDH1A1BLMPMP22PKM
SCHEMBL2044917 0.75 ALDH1A1 (0.39) TSHRALDH1A1BLMPMP22PKM

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 TSHR 1794/4885ALDH1A1 67/4885THPO 3528/4885

“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.