SCHEMBL1685674

SCHEMBL1685674

CCCCOC(=O)C1C(COC(=O)CC)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.37
TSHR P16473 3/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ESR1 P03372 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DGKA P23743 1/20 0.33
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FAAH O00519 1/20 0.31
DNM1 Q05193 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1685687 0.92 NAAA (0.41) NAAALMNADGKA
SCHEMBL1150465 0.86 ALDH1A1 (0.53) NAAAALDH1A1ATMTSHRHPGD
SCHEMBL1685655 0.85 LMNA (0.46) NAAAALDH1A1TSHRHTTLMNA
SCHEMBL1685638 0.82 NAAA (0.35) NAAALMNA
SCHEMBL1685701 0.82 ALDH1A1 (0.37) NAAAALDH1A1ATMTSHRHPGD
SCHEMBL1150187 0.81 ALDH1A1 (0.47) NAAAALDH1A1TSHRLMNAHCAR2
SCHEMBL2129276 0.80 ALDH1A1 (0.44) NAAAALDH1A1ATMTSHRHPGD
SCHEMBL1150513 0.80 ALDH1A1 (0.46) NAAAALDH1A1TSHRLMNAHCAR2
SCHEMBL2149721 0.78 NAAA (0.37) NAAAALDH1A1HPGDLMNACYP1A2
SCHEMBL1685676 0.78 NAAA (0.33) NAAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1950208-B1 PROCESS FOR PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE SUMITOMO CHEMICAL CO (JP) 2012-05-02 EP disclosed
US-7928253-B2 Method of producing 6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-20100168463-A1 METHOD OF PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-01 US disclosed
EP-1950208-A1 PROCESS FOR PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE Sumitomo Chemical Company, Limited (JP) 2008-07-30 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-20100168463-A1 METHOD OF PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE CYP1B1, HACL2, CMA1 NAAA 190/4885ALDH1A1 147/4885ATM 3606/4885

“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.