SCHEMBL5367104

SCHEMBL5367104

CCOC(=O)COC1(C)COC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TRPA1 O75762 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.34
NLRP3 Q96P20 2/20 0.33
CYP1A2 P05177 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL28392238 0.82 GAA (0.44) TSHRGAAMGAMSIMGAM2
SCHEMBL20816259 0.80 ALDH1A1 (0.36) TSHRALDH1A1ATM
SCHEMBL17222426 0.74 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL20816251 0.74 CYP3A4 (0.41) TSHRGAAALDH1A1LMNAKMT2A
SCHEMBL15231719 0.73 L3MBTL1 (0.44) TSHRGAAMGAMSIMGAM2
SCHEMBL28465729 0.73 GAA (0.35) TSHRGAAMGAMSIMGAM2
SCHEMBL15255688 0.73
SCHEMBL2595628 0.71 GAA (0.44) TSHRGAAMGAMSIMGAM2
SCHEMBL16179493 0.71 KMT2A (0.44) TSHRGAAALDH1A1LMNAKMT2A
SCHEMBL19216698 0.70 GAA (0.50) TSHRGAAMGAMSIMGAM2

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
EP-1712551-B1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2012-11-21 EP disclosed
US-20070265180-A1 3-Methyl Oxetanemethanol Derivatives and Their Use in Perfume Compositions INTERNATION FLAVORS & FRAGRANCES INC. 2007-11-15 US disclosed
US-7265231-B2 3-methyl oxetanemethanol derivatives and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-09-04 US disclosed
US-20060234882-A1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2006-10-19 US disclosed
EP-1712551-A1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2006-10-18 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 (2 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-20070265180-A1 3-Methyl Oxetanemethanol Derivatives and Their Use in Perfume Compositions PNMT, CYP51A1, MSMO1 TSHR 4747/4885GAA 4831/4885MGAM 2508/4885
US-20060234882-A1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions PNMT, CYP51A1, MSMO1 TSHR 4747/4885GAA 4831/4885MGAM 2508/4885

“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.