SCHEMBL6668639

SCHEMBL6668639

NC(=O)COCCOCCOCC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 3/20 0.35
HSD17B10 Q99714 3/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
THPO P40225 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL6712841 1.00 CES2 (0.36) CES2ALDH1A1TP53HSD17B10BLM
SCHEMBL22325195 1.00 CES2 (0.36) CES2ALDH1A1TP53HSD17B10BLM
SCHEMBL30661132 1.00 CES2 (0.36) CES2ALDH1A1TP53HSD17B10BLM
SCHEMBL2010713 0.97 CES2 (0.37) CES2ALDH1A1TP53HSD17B10BLM
SCHEMBL23875143 0.89 CES2 (0.40) CES2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2293384 0.89 CES2 (0.40) CES2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL22266204 0.89 CES2 (0.40) CES2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6103881 0.89 MEN1 (0.55) CES2ALDH1A1TP53HSD17B10MEN1
SCHEMBL3082724 0.89 MEN1 (0.55) CES2ALDH1A1TP53HSD17B10MEN1
SCHEMBL2639316 0.89 CES2 (0.31) CES2ALDH1A1TP53HSD17B10TSHR

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-0910331-B1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 2004-09-08 EP claimed
EP-0910331-A4 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 1999-11-03 EP claimed
EP-0910331-A1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1999-04-28 EP claimed
US-5834513-A TOPICAL COMPOSITION FOR TREATING SKIN CONDITIONS CHARACTERIZED BY ABNORMAL DESQUAMATION AVON PRODUCTS, INC. (US) 1998-11-10 US claimed
WO-1997039726-A1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1997-10-30 WO claimed
US-9828341-B2 Dendritic core compounds VICTORIA LINK LIMITED (NZ) 2017-11-28 US disclosed
US-20150291522-A1 DENDRITIC CORE COMPOUNDS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2015-10-15 US disclosed
EP-0910331-B1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 2004-09-08 EP disclosed
EP-0910331-A4 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 1999-11-03 EP disclosed
US-5932229-A TOPICAL COMPOUNDS AVON PRODUCTS, INC. (US) 1999-08-03 US disclosed
EP-0910331-A1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1999-04-28 EP disclosed
US-5834513-A TOPICAL COMPOSITION FOR TREATING SKIN CONDITIONS CHARACTERIZED BY ABNORMAL DESQUAMATION AVON PRODUCTS, INC. (US) 1998-11-10 US disclosed
WO-1997039726-A1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1997-10-30 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-20150291522-A1 DENDRITIC CORE COMPOUNDS FLOT1, DBN1, DCTN3 CES2 1396/4885ALDH1A1 3695/4885TP53 1720/4885

“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.