SCHEMBL4869984

SCHEMBL4869984

CC(C)[S+]([O-])c1ccccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ERN1 O75460 3/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL4867540 0.81 ALDH1A1 (0.38) ALDH1A1
SCHEMBL535964 0.78 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL21558601 0.75 ERN1 (0.44) ALDH1A1ERN1TYR
SCHEMBL9220820 0.73 LMNA (0.44) LMNAKMT2AMEN1THRBBLM
SCHEMBL27661574 0.71 MDM4 (0.31)
SCHEMBL17529259 0.71 ACHE (0.39) TDP1ALDH1A1TSHRCA1CA2
SCHEMBL25484900 0.69 GABRA1 (0.41) LMNAKMT2AMEN1BLMTDP1
SCHEMBL19848617 0.68 ADRA2A (0.32) LMNAKMT2AMEN1THRBBLM
SCHEMBL7641571 0.67 TDP1 (0.38) LMNAKMT2AMEN1THRBBLM
SCHEMBL8054028 0.67 IRAK4 (0.46) ALDH1A1TSHRHPGDHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183382-B2 ruthenium transition metal complexes used as cyclization catalyst EVONIK DEGUSSA GMBH (DE) 2012-05-22 US disclosed
US-8183382-B2 ruthenium transition metal complexes used as cyclization catalyst EVONIK DEGUSSA GMBH (DE) 2012-05-22 US disclosed
US-8183382-B2 ruthenium transition metal complexes used as cyclization catalyst EVONIK DEGUSSA GMBH (DE) 2012-05-22 US disclosed
EP-1990348-A2 Metathesis catalysts containing sulphur Evonik Degussa GmbH (DE) 2008-11-12 EP disclosed
EP-1990348-A2 Metathesis catalysts containing sulphur Evonik Degussa GmbH (DE) 2008-11-12 EP disclosed
US-20080275247-A1 SULPHUR-CONTAINING METATHESIS CATALYSTS EVONIK DEGUSSA GMBH (DE) 2008-11-06 US disclosed
US-20080275247-A1 SULPHUR-CONTAINING METATHESIS CATALYSTS EVONIK DEGUSSA GMBH (DE) 2008-11-06 US disclosed
US-20080275247-A1 SULPHUR-CONTAINING METATHESIS CATALYSTS EVONIK DEGUSSA GMBH (DE) 2008-11-06 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-20080275247-A1 SULPHUR-CONTAINING METATHESIS CATALYSTS TST, MPST, CBS LMNA 4675/4885KMT2A 2911/4885MEN1 371/4885

“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.