SCHEMBL813136

SCHEMBL813136

O=C1CCCCC1[Se]c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
MAPT P10636 3/20 0.45
CA1 P00915 4/20 0.43
SLC18A3 Q16572 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MT-CO2 P00403 3/20 0.39
ALOX5 P09917 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SRC P12931 1/20 0.37
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL811778 0.98 MCL1 (0.45) MCL1MAPTCA1SLC18A3KDM4E
SCHEMBL813145 0.94 MCL1 (0.40) MCL1MAPTCA1SLC18A3KDM4E
SCHEMBL29079991 0.73 POLB (0.40) KDM4ESMN1; SMN2HPGDKMT2A
SCHEMBL813131 0.69 DRD1 (0.35) MAPTKDM4ESMN1; SMN2
SCHEMBL2455033 0.69 GRM5 (0.39) KMT2A
SCHEMBL11207975 0.67 CA1 (0.53) MAPTCA1SLC18A3KDM4ESMN1; SMN2
SCHEMBL190786 0.67 SLC18A3 (0.51) MCL1MAPTCA1SLC18A3KDM4E
SCHEMBL9328018 0.67 SLC18A3 (0.51) MCL1MAPTCA1SLC18A3KDM4E
SCHEMBL15874652 0.67 SLC18A3 (0.51) MCL1MAPTCA1SLC18A3KDM4E
SCHEMBL14638749 0.66 RIPK1 (0.35) LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
WO-2006007586-A1 ORGANOCATALYSTS AND METHODS OF USE IN CHEMICAL SYNTHESIS SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2006-01-19 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 (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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 MCL1 2420/4885MAPT 4442/4885CA1 152/4885

“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.