SCHEMBL12895014

SCHEMBL12895014

CC(C)C(C)C1CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.41
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 5/20 0.33
POLB P06746 2/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2017899 0.93 CA1 (0.38) CA1CA2CA4KMT2ACYP2D6
SCHEMBL6913491 0.82 CA1 (0.50) CA1CA2CA4KMT2ACYP2D6
SCHEMBL7064883 0.82 CA1 (0.50) CA1CA2CA4KMT2ACYP2D6
SCHEMBL919145 0.82 CA1 (0.50) CA1CA2CA4KMT2ACYP2D6
SCHEMBL2690167 0.80 KMT2A (0.52) CA1CA2CA4KMT2ACYP2D6
SCHEMBL20337323 0.80 KMT2A (0.52) CA1CA2CA4KMT2ACYP2D6
SCHEMBL10732541 0.79 CA1 (0.43) CA1CA2CA4KMT2ACYP2D6
SCHEMBL10734273 0.78 CA1 (0.46) CA1CA2CA4KMT2ACYP2D6
SCHEMBL11476680 0.78 CA1 (0.46) CA1CA2CA4KMT2ACYP2D6
SCHEMBL7632295 0.77 KMT2A (0.48) CA1CA2CA4KMT2ACYP2D6

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
CN-101950599-B Conductive carbon slurry for membrane switch and preparation method thereof IRICO GROUP CORP 2012-01-04 CN claimed
CN-101950599-A Conductive carbon slurry for membrane switch and preparation method thereof IRICO GROUP CORP 2011-01-19 CN claimed
CN-101950599-B Conductive carbon slurry for membrane switch and preparation method thereof IRICO GROUP CORP 2012-01-04 CN disclosed
US-7879891-B2 such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
CN-101950599-A Conductive carbon slurry for membrane switch and preparation method thereof IRICO GROUP CORP 2011-01-19 CN disclosed
US-20070155718-A1 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 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-20070155718-A1 Caspase inhibitor prodrugs CASP1, CASP5, CASP2 CA1 790/4885CA2 1529/4885CA4 2255/4885

“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.