SCHEMBL1664673

SCHEMBL1664673

CCCCC1(C(=O)OCc2ccccc2)CC=CC(C)C1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HTR2C P28335 1/20 0.36
CETP P11597 3/20 0.35
SLC10A2 Q12908 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1665168 0.84 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR
SCHEMBL1665018 0.78 TSHR (0.39) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR
SCHEMBL1664415 0.76 ALDH1A1 (0.37) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR
SCHEMBL1664991 0.74 TSHR (0.39) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR
SCHEMBL1664274 0.71 ALDH1A1 (0.39) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR
SCHEMBL1665063 0.69 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR
SCHEMBL16344589 0.68 CETP (0.50) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR
SCHEMBL28300763 0.67 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR
Pentane SCHEMBL28649550 0.67 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR
SCHEMBL1664672 0.66 TSHR (0.48) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR

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 585/4885MAPK1 4135/4885L3MBTL1 4045/4885

“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.