SCHEMBL6899185

SCHEMBL6899185

CC(C)OCCOCCOCC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CES2 O00748 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL6668639 0.82 CES2 (0.36) MEN1KMT2AALDH1A1TDP1CES2
SCHEMBL30661132 0.82 CES2 (0.36) MEN1KMT2AALDH1A1TDP1CES2
SCHEMBL22325195 0.82 CES2 (0.36) MEN1KMT2AALDH1A1TDP1CES2
SCHEMBL6712841 0.82 CES2 (0.36) MEN1KMT2AALDH1A1TDP1CES2
SCHEMBL2950439 0.81 EPHX2 (0.35) EPHX2MEN1KMT2AALDH1A1TDP1
SCHEMBL2946936 0.81 EPHX2 (0.35) EPHX2MEN1KMT2AALDH1A1TDP1
SCHEMBL20175906 0.81 EPHX2 (0.35) EPHX2MEN1KMT2AALDH1A1TDP1
SCHEMBL21106821 0.81 CES2 (0.45) EPHX2MEN1KMT2AALDH1A1TDP1
SCHEMBL20175905 0.81 EPHX2 (0.35) EPHX2MEN1KMT2AALDH1A1TDP1
SCHEMBL25885330 0.81 CES2 (0.45) EPHX2MEN1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910362-B1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 2004-10-27 EP claimed
US-6534543-B2 Topical compositions with carboxy acid/ester, amide, or thioester/thioacid groups, with one or more of ether, amine, or sulfide groups; for example 3,6-dioxaheptanioic acid; peeling skin, softening hair AVON PRODUCTS, INC. 2003-03-18 US claimed
US-20020040056-A1 Oxa acids and related compounds for treating skin conditions AVON PRODUCTS, INC. 2002-04-04 US claimed
JP-2000511900-A 2000-09-12 JP claimed
EP-0910362-A4 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 1999-12-22 EP claimed
EP-0910362-A1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1999-04-28 EP claimed
WO-1997046231-A1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1997-12-11 WO claimed
EP-0910362-B1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 2004-10-27 EP disclosed
US-6534543-B2 Topical compositions with carboxy acid/ester, amide, or thioester/thioacid groups, with one or more of ether, amine, or sulfide groups; for example 3,6-dioxaheptanioic acid; peeling skin, softening hair AVON PRODUCTS, INC. 2003-03-18 US disclosed
US-20020040056-A1 Oxa acids and related compounds for treating skin conditions AVON PRODUCTS, INC. 2002-04-04 US disclosed
US-6333356-B1 TOPICAL COMPOUNDS FOR SKIN DISORDERS AVON PRODUCTS, INC. 2001-12-25 US disclosed
US-6069169-A OXA acids and related compounds for treating skin conditions AVON PRODUCTS, INC. (US) 2000-05-30 US disclosed
US-5847003-A Oxa acids and related compounds for treating skin conditions AVON PRODUCTS, INC. (US) 1998-12-08 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-20020040056-A1 Oxa acids and related compounds for treating skin conditions OXGR1, OXA1L, CXCR1 EPHX2 797/4885MEN1 3238/4885KMT2A 3850/4885

“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.