SCHEMBL413276

SCHEMBL413276

CCOC(=O)C(CC)(CC)P(=O)(O)O.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
ALDH1A1 P00352 3/20 0.37
MMP8 P22894 2/20 0.37
PKM P14618 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
HTT P42858 1/20 0.34
PIN1 Q13526 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL18759662 0.98 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1MMP8PKM
SCHEMBL16048 0.98 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1MMP8PKM
SCHEMBL19278938 0.96 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1MMP8PKM
SCHEMBL8171534 0.87 PIN1 (0.39) CYP4F2CYP4A11ALDH1A1MMP8KDM4E
SCHEMBL651926 0.86 FDPS (0.44) CYP4F2CYP4A11ALDH1A1MMP8PKM
Tetrahydrofuran SCHEMBL10517718 0.84 TSHR (0.38) CYP4F2CYP4A11ALDH1A1MMP8PKM
SCHEMBL9064918 0.83 MMP8 (0.50) CYP4F2CYP4A11ALDH1A1MMP8PKM
SCHEMBL2237636 0.83 FDPS (0.43) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL6851372 0.82 MEN1 (0.45) CYP4F2CYP4A11ALDH1A1MMP8PKM
SCHEMBL2392569 0.82 CYP4F2 (0.33) CYP4F2CYP4A11ALDH1A1MMP8PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 WO disclosed
EP-0206206-B1 ERGOLINE DERIVATIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE FARMITALIA CARLO ERBA S.r.l. (IT) 1989-09-20 EP disclosed
US-4746666-A Ergoline compounds useful as antiparkinson agents FARMITALIA CARLO ERBA S.P.A. (IT) 1988-05-24 US disclosed
EP-0206206-A1 Ergoline derivatives, process for preparing them, pharmaceutical composition and use FARMITALIA CARLO ERBA S.r.l. (IT) 1986-12-30 EP 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP CYP4F2 4805/4885CYP4A11 4870/4885ALDH1A1 4784/4885

“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.