SCHEMBL394926

SCHEMBL394926

CCCCCCC(=O)OCOC(=O)N(CC(=O)O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.51
DGKA P23743 1/20 0.47
DNM1 Q05193 1/20 0.44
TSHR P16473 5/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL389129 0.94 PAM (0.42) PAMDGKADNM1TSHRMAPT
SCHEMBL394685 0.81 ALDH1A1 (0.44) TSHRALDH1A1TDP1PTPN1MEN1
Pimelic Acid SCHEMBL6662480 0.76 PAM (0.71) PAMDGKATSHRMAPTALDH1A1
SCHEMBL3834773 0.76 PAM (0.71) PAMDGKATSHRMAPTALDH1A1
Adipic Acid SCHEMBL6662105 0.76 PAM (0.71) PAMDGKATSHRMAPTALDH1A1
Azelaic Acid SCHEMBL6665373 0.76 PAM (0.71) PAMDGKATSHRMAPTALDH1A1
Octanedioate SCHEMBL6666833 0.76 PAM (0.71) PAMDGKATSHRMAPTALDH1A1
SCHEMBL3836400 0.76 PAM (0.71) PAMDGKATSHRMAPTALDH1A1
SCHEMBL3829618 0.76 PAM (0.71) PAMDGKATSHRMAPTALDH1A1
Sebacic Acid SCHEMBL6661482 0.76 PAM (0.71) PAMDGKATSHRMAPTALDH1A1

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
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO claimed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US claimed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 PAM 581/4885DGKA 3517/4885DNM1 1541/4885

“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.