SCHEMBL3277348

SCHEMBL3277348

O=C(OCC(O)CO)C(O)CCCCCCCCCCCCCCCCCC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
LMNA P02545 1/20 0.46
DGKA P23743 1/20 0.40
USP2 O75604 4/20 0.37
CYP3A4 P08684 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
FAAH O00519 4/20 0.35
THRB P10828 1/20 0.34
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL3306789 0.91 MEN1 (0.45) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL127957 0.87 KDM4E (0.63) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL1123654 0.87 KDM4E (0.63) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL1123305 0.87 KDM4E (0.63) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL19281558 0.85 KDM4E (0.60) MEN1KMT2AKDM4EDUSP3LMNA
Ethylene Glycol SCHEMBL27039396 0.84 KDM4E (0.59) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL1277825 0.82 GPR84 (0.64) MEN1KMT2AKDM4EDUSP3LMNA
Sulfuric Acid SCHEMBL28346044 0.82 KDM4E (0.56) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL1278355 0.82 GPR84 (0.64) MEN1KMT2AKDM4EDUSP3LMNA
SCHEMBL28741014 0.80 MEN1 (0.42) MEN1KMT2AKDM4EDUSP3LMNA

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 7 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
US-8198335-B2 Cosmetic material PARAHERMOSA CO., LTD. (JP) 2012-06-12 US disclosed
EP-1550429-B1 EXTERNAL PREPARATIONS FOR SKIN SHISEIDO CO LTD (JP) 2010-11-17 EP disclosed
US-20100087551-A1 COSMETIC MATERIAL PARAHERMOSA CO., LTD. (JP) 2010-04-08 US 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 MEN1 3177/4885KMT2A 3174/4885KDM4E 2431/4885

“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.