SCHEMBL6897873

SCHEMBL6897873

CC(S)CCC(S)CCC(S)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
CACNA2D1 P54289 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 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
SCHEMBL6667904 0.88 SLC22A6 (0.43) SLC22A6TDP1ALDH1A1LMNAMAPT
SCHEMBL1408567 0.77 MMP12 (0.32) SLC22A6TDP1ALDH1A1LMNAMAPT
SCHEMBL868750 0.76
SCHEMBL9035264 0.76 BLM (0.41) SLC22A6TDP1ALDH1A1LMNAMAPT
SCHEMBL20966262 0.75
SCHEMBL98745 0.75
SCHEMBL8612540 0.75
SCHEMBL2811956 0.74 SLC22A6 (0.50) SLC22A6TDP1ALDH1A1LMNAMAPT
SCHEMBL27558335 0.74 KDM4C (0.43) LMNACACNA2D1RNPEPCACNB3CACNA1C
SCHEMBL3515609 0.73

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 19 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
CN-1110302-C Oxa acids and related compounds for treating skin conditions AVON PROD INC (US) 2003-06-04 CN 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-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 claimed
EP-0910362-A4 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 1999-12-22 EP claimed
CN-1221342-A Oxo acids and related compounds for the treatment of skin conditions AVON PROD INC (US) 1999-06-30 CN 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-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
WO-1997046231-A1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1997-12-11 WO 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 SLC22A6 1020/4885TDP1 2847/4885ALDH1A1 577/4885

“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.