SCHEMBL4228555

SCHEMBL4228555

CC[N+](C)(C)CCC(O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSP90AA1 P07900 2/20 0.39
RAD52 P43351 1/20 0.39
BBOX1 O75936 3/20 0.38
TSHR P16473 1/20 0.33
PSMD14 O00487 1/20 0.31
PLA2G1B P04054 1/20 0.31
MMP2 P08253 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
Hydrochloric Acid SCHEMBL27958932 0.97 DNM1 (0.39) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL14958464 0.85 TSHR (0.32) HTTHSP90AA1TSHRPSMD14PLA2G1B
SCHEMBL28230537 0.83 TSHR (0.40) DNM1HTTKMT2AHSP90AA1RAD52
Hydrochloric Acid SCHEMBL14957656 0.82 CYP3A4 (0.32) TSHR
Hydrochloric Acid SCHEMBL27958899 0.81 BBOX1 (0.37) RAD52BBOX1TSHRPSMD14PLA2G1B
Water SCHEMBL3302970 0.81 DNM1 (0.39) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL4230927 0.81 DNM1 (0.44) DNM1HTTHSP90AA1RAD52TSHR
Hydrochloric Acid SCHEMBL28151661 0.79 DNM1 (0.42) DNM1HTTHSP90AA1RAD52TSHR
SCHEMBL4236054 0.77 DNM1 (0.54) DNM1HTTKMT2AHSP90AA1RAD52
Hydrochloric Acid SCHEMBL8859622 0.77 DNM1 (0.36) DNM1HTTKMT2AHSP90AA1RAD52

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
US-7595411-B2 Phospholipid-analogous compounds MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2009-09-29 US disclosed
US-20050165245-A1 Phospholipid-analogous compounds MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-07-28 US disclosed
US-6344576-B1 CATIONIC PHOSPHATIDES AND GLYCERIDES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2002-02-05 US disclosed
EP-1102775-A1 NOVEL PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2001-05-30 EP disclosed
EP-1019417-A1 PHOSPHOLIPID ANALOGUE COMPOUNDS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2000-07-19 EP disclosed
WO-2000008031-A1 NOVEL PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2000-02-17 WO disclosed
WO-1999009037-A1 PHOSPHOLIPID ANALOGUE COMPOUNDS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-02-25 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-20050165245-A1 Phospholipid-analogous compounds PHOSPHO1, SGMS1, SGMS2 DNM1 1381/4885HTT 3569/4885KMT2A 4030/4885

“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.