SCHEMBL3679243

SCHEMBL3679243

CCOC(=O)C1=CC2OC(CC(C)C)OC2C(O)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
FUCA1 P04066 2/20 0.31
GLB1 P16278 1/20 0.31
PPM1B O75688 1/20 0.30
ALDH1A1 P00352 1/20 0.30
FDFT1 P37268 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
SCHEMBL1253774 0.73 HPGD (0.36) KMT2AMEN1LMNACYP3A4FUCA1
SCHEMBL17145154 0.73 LMNA (0.37) KMT2AMEN1LMNACYP3A4ALDH1A1
SCHEMBL13944890 0.72 FUCA1 (0.32) KMT2AMEN1LMNACYP3A4FUCA1
SCHEMBL28354991 0.71 MAPT (0.35) KMT2ALMNAFUCA1
SCHEMBL30468187 0.68 TSHR (0.38) KMT2AMEN1LMNACYP3A4FUCA1
SCHEMBL3675243 0.68 TSHR (0.38) KMT2AMEN1LMNACYP3A4FUCA1
SCHEMBL15144345 0.68 TSHR (0.38) KMT2AMEN1LMNACYP3A4FUCA1
SCHEMBL13984986 0.68 TSHR (0.38) KMT2AMEN1LMNACYP3A4FUCA1
SCHEMBL3650538 0.68 TSHR (0.38) KMT2AMEN1LMNACYP3A4FUCA1
SCHEMBL30468216 0.68 TSHR (0.35) KMT2AMEN1LMNACYP3A4FUCA1

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
EP-2178819-A2 EPOXIDE INTERMEDIATE IN THE TAMIFLU SYNTHESIS F.HOFFMANN-LA ROCHE AG (CH) 2010-04-28 EP disclosed
US-7473798-B2 Derivatives of unsaturated, cyclic organic acids ROCHE PALO ALTO LLC (US) 2009-01-06 US disclosed
US-20070197807-A1 Derivatives of unsaturated, cyclic organic acids GABEL RICHARD A 2007-08-23 US disclosed
WO-2007074091-A2 EPOXIDE INTERMEDIATE IN THE TAMIFLU SYNTHESIS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 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-20070197807-A1 Derivatives of unsaturated, cyclic organic acids ALOX5, VKORC1, ELOVL5 KMT2A 2221/4885MEN1 4812/4885LMNA 3327/4885

“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.