SCHEMBL3776439

SCHEMBL3776439

CC(=O)CCC(=O)C(CO)CO

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.43
SLC15A2 Q16348 1/20 0.43
ACHE P22303 1/20 0.32
PAOX Q6QHF9 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
TRPA1 O75762 1/20 0.30
SLC1A1 P43005 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
SCHEMBL13497875 0.84 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2ACHEPAOX
SCHEMBL6232266 0.76 MGAM (0.38) ALDH1A1TDP1TRPA1SLC1A1
SCHEMBL8860533 0.76 CES2 (0.43) ALDH1A1TDP1
SCHEMBL10923900 0.75 SLC1A1 (0.33) SLC1A1
SCHEMBL597670 0.73 ALDH1A1 (0.46) ALDH1A1LMNASLC15A2TDP1
SCHEMBL28060459 0.72 ALDH1A1 (1.00) ALDH1A1LMNASLC15A2ACHEPAOX
SCHEMBL10001 0.72
SCHEMBL57742 0.72 ALDH1A1 (0.59) ALDH1A1LMNASLC15A2ACHEPAOX
SCHEMBL888729 0.72 ALDH1A1 (0.59) ALDH1A1LMNASLC15A2ACHEPAOX
SCHEMBL328134 0.71 USP2 (0.43) SLC1A1

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
US-20100323000-A1 METHOD AND PROCESS FOR PREPARING CARDIOLIPIN NEOPHARM, INC. (US) 2010-12-23 US disclosed
WO-2006029081-A2 NUCLEOSIDE-LIPID CONJUGATES, THEIR METHOD OF PREPARATION AND USES THEREOF NEOPHARM, INC. (US) 2006-03-16 WO disclosed
US-20050266068-A1 Cardiolipin molecules and methods of synthesis NEOPHARM, INC. (US) 2005-12-01 US disclosed
EP-1556392-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS Neopharm, Inc. (US) 2005-07-27 EP disclosed
WO-2004039817-A9 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM INC (US) 2004-07-22 WO disclosed
WO-2004039817-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM, INC. (US) 2004-05-13 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 (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-20050266068-A1 Cardiolipin molecules and methods of synthesis PHOSPHO1, MGLL, LIPA ALDH1A1 4029/4885LMNA 1174/4885SLC15A2 2311/4885
US-20100323000-A1 METHOD AND PROCESS FOR PREPARING CARDIOLIPIN PHOSPHO1, SGMS1, SGMS2 ALDH1A1 4113/4885LMNA 360/4885SLC15A2 3732/4885

“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.