SCHEMBL3377620

SCHEMBL3377620

O=C(O)C(CCCCCCCCCCCCCCCCO)(CC(O)CO)CC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ARG2 P78540 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PTPN1 P18031 1/20 0.30
THRB P10828 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3501718 0.85 TSHR (0.43) ACACBACACAGPR84FFAR1FFAR4
SCHEMBL3503244 0.85 TSHR (0.43) ACACBACACAGPR84FFAR1FFAR4
SCHEMBL290355 0.85 KDM4E (0.44) ACACBACACAGPR84FFAR1FFAR4
SCHEMBL525690 0.85 KDM4E (0.44) ACACBACACAGPR84FFAR1FFAR4
SCHEMBL3502848 0.85 TSHR (0.43) ACACBACACAGPR84FFAR1FFAR4
SCHEMBL3335410 0.85 KDM4E (0.44) ACACBACACAGPR84FFAR1FFAR4
SCHEMBL3503242 0.85 TSHR (0.43) ACACBACACAGPR84FFAR1FFAR4
SCHEMBL1162330 0.85 KDM4E (0.44) ACACBACACAGPR84FFAR1FFAR4
SCHEMBL2223196 0.85 KDM4E (0.44) ACACBACACAGPR84FFAR1FFAR4
SCHEMBL10800123 0.85 TSHR (0.43) ACACBACACAGPR84FFAR1FFAR4

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
CN-108853105-B Cosmetic composition, pharmaceutical composition and food composition 西姆莱斯股份公司 2021-10-15 CN disclosed
EP-1550429-B1 EXTERNAL PREPARATIONS FOR SKIN SHISEIDO CO LTD (JP) 2010-11-17 EP disclosed
US-7445790-B2 External preparations for skin SHISEIDO COMPANY, LTD. (JP) 2008-11-04 US disclosed
US-20050180931-A1 External preparations for skin SHISEIDO COMPANY, LTD. (JP) 2005-08-18 US disclosed
EP-1550429-A1 EXTERNAL PREPARATIONS FOR SKIN SHISEIDO COMPANY, LTD. (JP) 2005-07-06 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-20050180931-A1 External preparations for skin CUTA, HRH1, CYP24A1 ACACB 105/4885ACACA 664/4885CYP4F2 1057/4885

“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.