SCHEMBL5830472

SCHEMBL5830472

CCC(OCCOCCOCCOC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
ALDH1A1 P00352 2/20 0.31
DDAH1 O94760 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA2 P00918 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 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
SCHEMBL7653761 1.00 SMN1; SMN2 (0.34) SMN1; SMN2CYP4F2CYP4A11ALDH1A1DDAH1
SCHEMBL3426355 0.94 SMN1; SMN2 (0.37) SMN1; SMN2CYP4F2CYP4A11ALDH1A1DDAH1
SCHEMBL27213086 0.86 ALDH1A1 (0.32) ALDH1A1DDAH1KDM4ECA2
SCHEMBL29257033 0.86 ALDH1A1 (0.32) ALDH1A1DDAH1KDM4ECA2
SCHEMBL7648423 0.85 PPARG (0.40) DDAH1ABCB11CYP3A4ADRA2BOPRD1
SCHEMBL12171733 0.85 ALDH1A1 (0.33) ALDH1A1DDAH1KDM4ECA2
SCHEMBL28789913 0.85 MEN1 (0.42) SMN1; SMN2CYP4F2CYP4A11ALDH1A1
SCHEMBL16246663 0.84 ALDH1A1 (0.43) SMN1; SMN2CYP4F2CYP4A11ALDH1A1
SCHEMBL4782571 0.83 TSHR (0.42) SMN1; SMN2CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL1904784 0.83 CPB2 (0.40) SMN1; SMN2CYP4F2CYP4A11

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041721-B2 Highly neutralized polymer golf ball compositions including oxa acids and methods of making same ACUSHNET COMPANY (US) 2006-05-09 US claimed
EP-0910362-B1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 2004-10-27 EP claimed
US-20030225197-A1 Highly neutralized polymer golf ball compositions including oxa acids and methods of making same JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2003-12-04 US 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
US-6069169-A OXA acids and related compounds for treating skin conditions AVON PRODUCTS, INC. (US) 2000-05-30 US 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
US-5847003-A Oxa acids and related compounds for treating skin conditions AVON PRODUCTS, INC. (US) 1998-12-08 US claimed
WO-1997046231-A1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1997-12-11 WO claimed
US-7041721-B2 Highly neutralized polymer golf ball compositions including oxa acids and methods of making same ACUSHNET COMPANY (US) 2006-05-09 US disclosed
EP-0910362-B1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 2004-10-27 EP disclosed
US-20030225197-A1 Highly neutralized polymer golf ball compositions including oxa acids and methods of making same JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2003-12-04 US 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-6333356-B1 TOPICAL COMPOUNDS FOR SKIN DISORDERS AVON PRODUCTS, INC. 2001-12-25 US disclosed
US-6071962-A IN TOPICAL APPLICATIONS TO TREAT VARIOUS SKIN CONDITIONS ATTRIBUTED TO, ACCOMPANIED BY OR EXACERBATED BY ABNORMAL DESQUAMATION INCLUDING DRY SKIN, ICHTHYOSIS, PALMAR AND PLANTAR HYPERKERATOSES, DANDRUFF, LICHEN SIMPLEX CHRONICUS AVON PRODUCTS, INC. (US) 2000-06-06 US disclosed
US-6069169-A OXA acids and related compounds for treating skin conditions AVON PRODUCTS, INC. (US) 2000-05-30 US disclosed
EP-0910362-A4 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 1999-12-22 EP disclosed
EP-0910362-A1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1999-04-28 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-20020040056-A1 Oxa acids and related compounds for treating skin conditions OXGR1, OXA1L, CXCR1 SMN1; SMN2 2465/4885CYP4F2 1910/4885CYP4A11 364/4885

“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.