SCHEMBL1685653

SCHEMBL1685653

CC1CCC(C(C)C)C(OC(=O)C2C(COC(=O)C(C)(C)C)C2(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
CYP19A1 P11511 2/20 0.40
ALDH1A1 P00352 8/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
P2RX4 Q99571 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPM8 Q7Z2W7 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
SCHEMBL1685668 0.88 EPHX1 (0.44) EPHX1CYP19A1ALDH1A1MAPTHPGD
SCHEMBL1685658 0.87 CYP19A1 (0.44) EPHX1CYP19A1ALDH1A1MAPTHPGD
SCHEMBL20815364 0.85 CYP19A1 (0.43) EPHX1CYP19A1ALDH1A1MAPTHPGD
SCHEMBL2127574 0.83 EPHX1 (0.47) EPHX1CYP19A1ALDH1A1MAPTHPGD
SCHEMBL293856 0.82 EPHX1 (0.44) EPHX1CYP19A1ALDH1A1MAPTHPGD
SCHEMBL1685632 0.81 ALDH1A1 (0.49) CYP19A1ALDH1A1MAPTHPGDKDM4E
SCHEMBL7642694 0.78 EPHX1 (0.52) EPHX1CYP19A1ALDH1A1MAPTHPGD
SCHEMBL6414720 0.78 ALDH1A1 (0.46) CYP19A1ALDH1A1MAPTHPGDKDM4E
SCHEMBL19670085 0.77 EPHX1 (0.56) EPHX1CYP19A1ALDH1A1MAPTHPGD
SCHEMBL10139341 0.77 EPHX1 (0.56) EPHX1CYP19A1ALDH1A1MAPTHPGD

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 EPHX1 316/4885CYP19A1 412/4885ALDH1A1 147/4885

“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.