SCHEMBL813145

SCHEMBL813145

O=C1CCCC1[Se]c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
MAPT P10636 5/20 0.39
CA1 P00915 3/20 0.37
MT-CO2 P00403 2/20 0.37
ALOX5 P09917 2/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC18A3 Q16572 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL813136 0.94 MCL1 (0.46) MCL1MAPTCA1MT-CO2ALOX5
SCHEMBL811778 0.93 MCL1 (0.45) MCL1MAPTCA1MT-CO2ALOX5
SCHEMBL29079991 0.74 POLB (0.40) ALDH1A1TSHRPSEN1PSEN2APH1B
SCHEMBL2455033 0.70 GRM5 (0.39) ALDH1A1ALOX15TSHR
SCHEMBL813131 0.70 DRD1 (0.35) MAPTKDM4ESMN1; SMN2
SCHEMBL14638749 0.67 RIPK1 (0.35) ALDH1A1ALOX15TSHRL3MBTL1LMNA
SCHEMBL812452 0.67 PSEN1 (0.30) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7254321 0.66 L3MBTL1 (0.47) ALDH1A1L3MBTL1
SCHEMBL10606283 0.66
SCHEMBL361599 0.65 DDB1 (0.48) MCL1MAPTMT-CO2ALOX5ALOX15

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-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
US-5250715-A Optically active 2-methylenepentane derivative and process for preparing same DAISO CO., LTD. (JP) 1993-10-05 US disclosed
US-5216187-A Optically active 2-methylenepentane derivative and process for preparing same DAISO CO., LTD. (JP) 1993-06-01 US disclosed
US-5200538-A Optically active 2-methylenecyclopentanone derivative and process for preparing same DAISO CO., LTD. (JP) 1993-04-06 US disclosed
US-5180844-A Optically active 2-methylenecyclopentanone derivative and process for preparing same DAISO CO., LTD. (JP) 1993-01-19 US disclosed
US-5136066-A Process for preparing optically active cyclopentenone derivative DAISO CO., LTD. (JP) 1992-08-04 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-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.