SCHEMBL2794690

SCHEMBL2794690

O=C(N[C@H](CO)C(=O)O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
LMNA P02545 2/20 0.45
TGFBR1 P36897 3/20 0.44
EPHX1 P07099 1/20 0.43
PADI1 Q9ULC6 1/20 0.43
PADI4 Q9UM07 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA4 P43681 3/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRM1 Q13255 1/20 0.40
USP30 Q70CQ3 1/20 0.40
PSMB5 P28074 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2797000 1.00 HDAC8 (0.45) HDAC8HDAC6LMNATGFBR1EPHX1
SCHEMBL2795524 1.00 HDAC8 (0.45) HDAC8HDAC6LMNATGFBR1EPHX1
SCHEMBL7898517 0.84 MME (0.46) HDAC8HDAC6LMNAEPHX1PADI1
SCHEMBL23967395 0.84 MME (0.46) HDAC8HDAC6LMNAEPHX1PADI1
SCHEMBL6502285 0.84 PADI1 (0.45) HDAC8HDAC6LMNAEPHX1PADI1
SCHEMBL28910144 0.82 MME (0.45) HDAC8HDAC6LMNAEPHX1PADI1
SCHEMBL5730708 0.81 LMNA (0.45) HDAC8HDAC6LMNAPADI1PADI4
SCHEMBL10013376 0.81 PADI1 (0.43) HDAC8HDAC6LMNAPADI1PADI4
SCHEMBL7901558 0.81 FOLH1 (0.55) LMNA
SCHEMBL1075861 0.81 ECE1 (0.42) HDAC8HDAC6LMNAEPHX1PADI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065794-A1 Wrinkle-preventing and improving composition SHISEIDO COMPANY, LTD. (JP) 2011-03-17 US disclosed
US-20100168468-A1 WRINKLE-PREVENTING AND IMPROVING COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-07-01 US disclosed
EP-1908454-A1 WRINKLE-PREVENTIVE/AMELIORATING AGENT SHISEIDO COMPANY, LTD. (JP) 2008-04-09 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 (2 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-20100168468-A1 WRINKLE-PREVENTING AND IMPROVING COMPOSITION COL1A1, COL2A1, COL14A1 HDAC8 1808/4885HDAC6 2326/4885LMNA 263/4885
US-20110065794-A1 Wrinkle-preventing and improving composition COL1A1, COL2A1, COL14A1 HDAC8 1808/4885HDAC6 2326/4885LMNA 263/4885

“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.