SCHEMBL1663959

SCHEMBL1663959

CCCCOC(=O)C1C2CCC(C2)C1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
PPARG P37231 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1664146 0.95 TSHR (0.58) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL15080525 0.87 FABP7 (0.58) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL1663323 0.86 CA1 (0.55) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL1663613 0.86 CA1 (0.55) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL2175396 0.85 TSHR (0.59) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL2032598 0.85 PPM1B (0.56) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL27208665 0.83 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4MAPK1MEN1
SCHEMBL17780228 0.83 TSHR (0.57) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL1664712 0.83 TSHR (0.57) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL1663376 0.83 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4MAPK1TDP1

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
WO-2011071674-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-06-16 WO disclosed
EP-2307476-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-04-13 EP disclosed
US-20100113664-A1 Asymmetric Cyclic Diester Compounds FERRO CORPORATION (US) 2010-05-06 US disclosed
WO-2009152068-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2009-12-17 WO disclosed
US-20090312470-A1 Asymmetric Cyclic Diester Compounds FERRO CORPORATION (US) 2009-12-17 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-20090312470-A1 Asymmetric Cyclic Diester Compounds DDT, PCNA, AADAC ALDH1A1 585/4885TSHR 4543/4885CYP3A4 113/4885

“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.