SCHEMBL1665160

SCHEMBL1665160

CCCCOC(=O)C1=C(C(=O)OCc2ccccc2)C2CCC1O2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.65
ALDH1A1 P00352 5/20 0.65
TDP1 Q9NUW8 3/20 0.65
MAPK1 P28482 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
CYP3A4 P08684 2/20 0.65
TP53 P04637 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.43
ESR1 P03372 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA3 P0DMS8 2/20 0.43

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
SCHEMBL31303954 0.85 TSHR (0.47) TSHRALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL1663750 0.83 PRSS1 (0.48) TSHRALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL1665164 0.80 NAAA (0.48) LMNA
SCHEMBL49678 0.79 TSHR (1.00) TSHRALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL11416620 0.79 TSHR (0.78) TSHRALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL6278559 0.79 TSHR (1.00) TSHRALDH1A1TDP1MAPK1L3MBTL1
Dibutyl Phthalate SCHEMBL28606944 0.79 TSHR (1.00) TSHRALDH1A1TDP1MAPK1L3MBTL1
Dibutyl Phthalate SCHEMBL10408632 0.79 TSHR (1.00) TSHRALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL29507351 0.79 TSHR (1.00) TSHRALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL29507350 0.79 TSHR (1.00) TSHRALDH1A1TDP1MAPK1L3MBTL1

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 TSHR 4543/4885ALDH1A1 585/4885TDP1 2109/4885

“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.