SCHEMBL2032598

SCHEMBL2032598

CCCCOC(=O)C1C2CCC(O2)C1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 2/20 0.56
▸ PTPN1 P18031 2/20 0.56
▸ PPP1CC P36873 2/20 0.56
▸ TSHR P16473 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ PPARG P37231 3/20 0.46
▸ FABP7 O15540 2/20 0.45
▸ FABP5 Q01469 2/20 0.45

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
SCHEMBL6800576 0.88 FABP7 (0.55) PPM1BPTPN1PPP1CCTSHRTDP1
SCHEMBL1664146 0.87 TSHR (0.58) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1664580 0.86 L3MBTL1 (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1663781 0.85 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1664742 0.85 L3MBTL1 (0.56) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1663959 0.85 ALDH1A1 (0.56) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL2832823 0.84 PPM1B (0.59) PPM1BPTPN1PPP1CCTSHRFABP7
SCHEMBL27783538 0.84 PPM1B (0.71) PPM1BPTPN1PPP1CCTSHRALDH1A1
SCHEMBL1663613 0.84 CA1 (0.55) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1663376 0.83 ALDH1A1 (0.51) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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
WO-2011071674-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-06-16 — — WO disclosed
US-20100113664-A1 Asymmetric Cyclic Diester Compounds FERRO CORPORATION (US) 2010-05-06 — — US 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 PPM1B 3183/4885PTPN1 3084/4885PPP1CC 2659/4885

“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.

Send feedback