SCHEMBL13622365

SCHEMBL13622365

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS2 P35354 1/20 0.34
PDE4D Q08499 1/20 0.34
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
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 2/20 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
SCHEMBL24425864 0.87 MEN1 (0.40) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL17816562 0.86 MEN1 (0.37) MEN1KMT2A
SCHEMBL13622352 0.83 MEN1 (0.37) MEN1KMT2APKML3MBTL1KDM4E
SCHEMBL379262 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL5820577 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL15387975 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1TDP1LMNA
SCHEMBL15387976 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1TDP1LMNA
SCHEMBL1026954 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL27861619 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL3958003 0.77 MEN1 (0.39) MEN1KMT2ANR1I2PGRADORA3

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 MEN1 2734/4885KMT2A 4065/4885NR1I2 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.