SCHEMBL1783555

SCHEMBL1783555

CON=C(C(C)=O)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 3/20 0.35
THPO P40225 1/20 0.35
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP3A4 P08684 1/20 0.30
CA4 P22748 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
SCHEMBL7942903 0.94 ALDH1A1 (0.37) ALDH1A1TSHRTHPOTHRBBLM
SCHEMBL6567442 0.86 ALDH1A1 (0.32) ALDH1A1TSHRTHPO
SCHEMBL6567440 0.86 ALDH1A1 (0.32) ALDH1A1TSHRTHPO
SCHEMBL10738083 0.86 ALDH1A1 (0.32) ALDH1A1TSHRTHPO
SCHEMBL7620117 0.86 TSHR (0.33) ALDH1A1TSHRTHPOTHRBBLM
SCHEMBL6263196 0.86 TSHR (0.33) ALDH1A1TSHRTHPOTHRBBLM
SCHEMBL6263199 0.86 TSHR (0.33) ALDH1A1TSHRTHPOTHRBBLM
SCHEMBL11283607 0.84 CA4 (0.30) ALDH1A1CA4
SCHEMBL9651326 0.84 TDP1 (0.33) ALDH1A1BLMPMP22
SCHEMBL11283609 0.84 CA4 (0.30) ALDH1A1CA4

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 19 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
US-7470786-B2 Method for manufacture of ceftriaxone sodium LUPIN LIMITED (IN) 2008-12-30 US disclosed
US-20080200670-A1 METHOD FOR THE MANUFACTURE OF CEFTRIAXONE SODIUM LUPIN LIMITED (RESEARCH PARK) (IN) 2008-08-21 US disclosed
US-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-03-01 US disclosed
US-20070015917-A1 Method For Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-01-18 US disclosed
EP-1274677-B1 METHOD FOR PRODUCING OXIME ETHERS BASF AG (DE) 2007-01-17 EP disclosed
US-6680410-B2 ALKYLATION IN PRESENCE OF APROTIC SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
US-20030109740-A1 Method for producing oxime ethers BASF AKTIENGESELLSCHAFT (DE) 2003-06-12 US disclosed
EP-1274677-A1 METHOD FOR PRODUCING OXIME ETHERS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
EP-1117636-B1 METHOD FOR PREPARING TRION-BIS(OXIME ETHER) DERIVATIVES ANDRION-MONO AND TRION-BIS(OXIME ETHER) DERIVATIVES OBTAINED THEREWITH BASF AG (DE) 2002-12-11 EP disclosed
US-6441236-B1 HYDROLYSIS, AMINATION BASF AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
WO-2001077070-A1 METHOD FOR PRODUCING OXIME ETHERS BASF AKTIENGESELLSCHAFT (DE) 2001-10-18 WO disclosed
EP-1117636-A1 METHOD FOR PREPARING TRION-BIS(OXIME ETHER) DERIVATIVES ANDRION-MONO AND TRION-BIS(OXIME ETHER) DERIVATIVES OBTAINED THEREWITH BASF AKTIENGESELLSCHAFT (DE) 2001-07-25 EP disclosed
WO-2000018726-A1 METHOD FOR PREPARING TRION-BIS(OXIME ETHER) DERIVATIVES ANDRION-MONO AND TRION-BIS(OXIME ETHER) DERIVATIVES OBTAINED THEREWITH BASF AKTIENGESELLSCHAFT (DE) 2000-04-06 WO 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 (5 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 ALDH1A1 67/4885TSHR 1794/4885THPO 3528/4885
US-20030109740-A1 Method for producing oxime ethers HCCS, NOS2, CBR3 ALDH1A1 2594/4885TSHR 574/4885THPO 4292/4885
US-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium TREH, CHAT, MRPL21 ALDH1A1 1915/4885TSHR 3097/4885THPO 1925/4885
US-20070015917-A1 Method For Manufacture of Ceftriaxone Sodium TREH, CHAT, MRPL21 ALDH1A1 1915/4885TSHR 3097/4885THPO 1925/4885
US-20080200670-A1 METHOD FOR THE MANUFACTURE OF CEFTRIAXONE SODIUM CHAT, TREH, MRPL21 ALDH1A1 1869/4885TSHR 3037/4885THPO 2073/4885

“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.