SCHEMBL5553336

SCHEMBL5553336

CCOC(=O)CC1(C(=O)O)CCCC(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.34
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
UGT2B7 P16662 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL7127146 1.00 GAA (0.40) GAAKMT2AL3MBTL1CTDSP1MGAM
SCHEMBL1734564 0.84 KARS1 (0.32)
SCHEMBL13059598 0.84 KARS1 (0.32)
SCHEMBL5554352 0.82
SCHEMBL19809987 0.80 CYP2C19 (0.38) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3764731 0.80 CYP2C19 (0.38) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5555360 0.80 CYP2C19 (0.38) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL13059659 0.79 SMN1; SMN2 (0.33) GAAKMT2AMGAMSIMGAM2
SCHEMBL13082839 0.79 FFAR3 (0.33)
SCHEMBL5553350 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285546-B2 Cephalotaxanes, their method of preparation and their use in treatment of cancers, leukemias, parasites including those resistant to usual chemotherapeutic agents and as reversal agents STRAGEN PHARMA S.A. (CH) 2007-10-23 US disclosed
EP-1328527-B1 CEPHALOTAXANES, THEIR METHOD OF PREPARATION AND THEIR USE IN TREATMENT OF CANCERS, LEUKEMIAS, PARASITES INCLUDING THOSE RESISTANT TO USUAL CHEMOTHERAPEUTIC AGENTS AND AS REVERSAL AGENTS STRAGEN PHARMA SA (CH) 2006-03-08 EP disclosed
US-20040006064-A1 Cephalotaxanes, their method of preparation and their use in treatment of cancers, leukemias, parasites including those resistant to usual chemotherapeutic agents and as reversal agents IVAX International GmbH (CH) 2004-01-08 US disclosed
EP-1328527-A1 CEPHALOTAXANES, THEIR METHOD OF PREPARATION AND THEIR USE IN TREATMENT OF CANCERS, LEUKEMIAS, PARASITES INCLUDING THOSE RESISTANT TO USUAL CHEMOTHERAPEUTIC AGENTS AND AS REVERSAL AGENTS Oncopharm Corporation (US) 2003-07-23 EP disclosed
WO-2002032904-A1 NEW CEPHALOTAXANES, THEIR METHOD OF PREPARATION AND THEIR USE IN TREATMENT OF CANCERS, LEUKEMIAS, PARASITES INCLUDING THUS RESISTANT TO USUAL CHEMOTHERAPEUTIC AGENTS AND AS REVERSAL AGENTS ONCOPHARM CORPORATION (FR) 2002-04-25 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-20040006064-A1 Cephalotaxanes, their method of preparation and their use in treatment of cancers, leukemias, parasites including those resistant to usual chemotherapeutic agents and as reversal agents MCL1, CYCS, CYC1 GAA 4607/4885KMT2A 157/4885L3MBTL1 70/4885

“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.