SCHEMBL4167244

SCHEMBL4167244

CCCCCCCCCCCCCCC(=O)OC[C@H](COC(C(O)CO)P(=O)(O)O)OC(=O)CCCCCCCCCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
LPAR3 Q9UBY5 7/20 0.62
LPAR1 Q92633 4/20 0.62
ENPP2 Q13822 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PRKCA P17252 4/20 0.62
PRKCE Q02156 2/20 0.62
PRKCQ Q04759 2/20 0.62
PRKCD Q05655 2/20 0.62
LPAR2 Q9HBW0 2/20 0.58
SELP P16109 1/20 0.54
FABP3 P05413 1/20 0.53

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
SCHEMBL547251 1.00 ALDH1A1 (0.63) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL3407184 1.00 ALDH1A1 (0.63) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL37548 1.00 ALDH1A1 (0.63) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL3409080 1.00 ALDH1A1 (0.63) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL41701 1.00 ALDH1A1 (0.63) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL16598280 1.00 ALDH1A1 (0.63) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL42345 1.00 ALDH1A1 (0.63) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL15052353 1.00 ALDH1A1 (0.63) ALDH1A1LMNALPAR3LPAR1ENPP2
Ammonia Solution, Strong SCHEMBL14632885 0.99 ALDH1A1 (0.61) ALDH1A1LMNALPAR3LPAR1ENPP2
Ammonia Solution, Strong SCHEMBL14632795 0.99 ALDH1A1 (0.61) ALDH1A1LMNALPAR3LPAR1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090134323-A1 MULTIDIMENSIONAL MASS SPECTROMETRY OF SERUM AND CELLULAR LIPIDS DIRECTLY FROM BIOLOGIC EXTRACTS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-05-28 US disclosed
US-7510880-B2 Multidimensional mass spectrometry of serum and cellular lipids directly from biologic extracts NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-31 US disclosed
US-20070265216-A1 ENHANCED MEDICAL TREATMENT IN DIABETIC CARDIOMYOPATHY WASHINGTON UNIVERSITY IN ST. LOUIS 2007-11-15 US disclosed
US-20070148779-A1 Multidimensional mass spectrometry or serum and celluar lipids directly from biologic extracts WASHINGTON UNIVERSITY IN ST. LOUIS (US) 2007-06-28 US disclosed
US-20040191916-A1 Multidimensional mass spectrometry of serum and cellular lipids directly from biologic extracts NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-30 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-20070265216-A1 ENHANCED MEDICAL TREATMENT IN DIABETIC CARDIOMYOPATHY TNNI3, TNNT2, TNNC1 ALDH1A1 3106/4885LMNA 146/4885LPAR3 522/4885

“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.