SCHEMBL3262965

SCHEMBL3262965

CCCC(=O)N(C(C)CO)C(C)CO

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
FFAR3 O14843 3/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
CTSD P07339 1/20 0.30
LMNA P02545 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
SCHEMBL11808361 0.88 CHRNB2 (0.35) TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL11165734 0.84 CHRNB2 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL4147215 0.84 CES2 (0.38) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL8417160 0.84 MAPK1 (0.46) CES2CES1TSHRALDH1A1MAPT
SCHEMBL8415509 0.84 MAPK1 (0.46) CES2CES1TSHRALDH1A1MAPT
SCHEMBL8415644 0.84 MAPK1 (0.46) CES2CES1TSHRALDH1A1MAPT
SCHEMBL11176163 0.82 KDM4C (0.42) CHRNB2CHRNB4CHRNA4MAPTMAPK1
SCHEMBL5140309 0.81 TSHR (0.32) FFAR3TSHRALDH1A1CHRNB2CHRNB4
SCHEMBL2035630 0.78 CES2 (0.41) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL28639265 0.76 CES2 (0.39) CES2CES1HDAC3HDAC1HDAC2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021345-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER L'Oreal (FR) 2009-02-11 EP claimed
WO-2007137925-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER L'OREAL (FR) 2007-12-06 WO claimed
US-8361991-B2 Hydroxylated amide skin moisturizer L'OREAL (FR) 2013-01-29 US disclosed
US-20100009933-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER L'OREAL (FR) 2010-01-14 US disclosed
EP-2021345-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER L'Oreal (FR) 2009-02-11 EP disclosed
WO-2007137925-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER L'OREAL (FR) 2007-12-06 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-20100009933-A1 HYDROXYLATED AMIDE SKIN MOISTURIZER H1-0, H1-3, H1-4 CES2 1568/4885CES1 977/4885HDAC3 223/4885

“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.