SCHEMBL5555360

SCHEMBL5555360

CC1(C)CCC[C@](CC(=O)O)(C(=O)O)O1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR3 O14843 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL19809987 1.00 CYP2C19 (0.38) CYP2C19TSHRCYP1A2ALDH1A1USP2
SCHEMBL3764731 1.00 CYP2C19 (0.38) CYP2C19TSHRCYP1A2ALDH1A1USP2
SCHEMBL5549643 0.84
SCHEMBL13082839 0.83 FFAR3 (0.33) FFAR3
SCHEMBL12393389 0.83 NPSR1 (0.33) CYP2C19TSHR
SCHEMBL1734564 0.83 KARS1 (0.32)
SCHEMBL13059598 0.83 KARS1 (0.32)
SCHEMBL5553350 0.82
SCHEMBL5553336 0.80 GAA (0.40) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7127146 0.80 GAA (0.40) ALDH1A1SMN1; SMN2L3MBTL1

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 3 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

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 CYP2C19 1063/4885TSHR 2195/4885CYP1A2 184/4885

“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.