SCHEMBL13622367

SCHEMBL13622367

C#CCC(C/C=C\CC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.39
GRIK2 Q13002 4/20 0.39
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
CPB2 Q96IY4 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
SCHEMBL13622354 0.84 MEN1 (0.30) GRIK1GRIK2MEN1NPC1KMT2A
SCHEMBL23043980 0.82 ALDH1A1 (0.40) GRIK1GRIK2ALDH1A1ALOX15TSHR
SCHEMBL29040694 0.80 GRIK1 (0.44) GRIK1GRIK2NR1I2PGRADORA3
SCHEMBL1312609 0.78 GRIK1 (0.37) GRIK1GRIK2ALDH1A1ALOX15HSD17B10
SCHEMBL3696782 0.76 ADORA3 (0.47) GRIK1GRIK2NR1I2PGRADORA3
SCHEMBL444331 0.76 ADORA3 (0.47) GRIK1GRIK2NR1I2PGRADORA3
SCHEMBL3205311 0.76 ADORA3 (0.47) GRIK1GRIK2NR1I2PGRADORA3
SCHEMBL3205323 0.76 ADORA3 (0.47) GRIK1GRIK2NR1I2PGRADORA3
SCHEMBL442023 0.76 ADORA3 (0.47) GRIK1GRIK2NR1I2PGRADORA3
SCHEMBL441948 0.76 ADORA3 (0.47) GRIK1GRIK2NR1I2PGRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618999-B2 Process of obtaining taxosteroids and precursors thereof UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2009-11-17 US disclosed
US-7618999-B2 Process of obtaining taxosteroids and precursors thereof UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2009-11-17 US disclosed
US-20070185108-A1 PROCESS OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2007-08-09 US disclosed
US-20070185108-A1 PROCESS OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2007-08-09 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-20070185108-A1 PROCESS OF OBTAINING TAXOSTEROIDS AND PRECURSORS THEREOF CYP11B1, CYP11B2, HSD3B2 GRIK1 4262/4885GRIK2 4026/4885NR1I2 138/4885

“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.