SCHEMBL564851

SCHEMBL564851

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.69
NR5A2 O00482 1/20 0.69
NR5A1 Q13285 1/20 0.69
MAPT P10636 3/20 0.67
RECQL P46063 1/20 0.58
FABP3 P05413 1/20 0.55
MAPK1 P28482 4/20 0.54
MEN1 O00255 2/20 0.54
GMNN O75496 2/20 0.54
LMNA P02545 2/20 0.54
BLM P54132 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
ALOX15 P16050 2/20 0.54
NFKB1 P19838 2/20 0.54

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
SCHEMBL417340 1.00 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL31381152 1.00 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL3728919 1.00 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL31381151 0.97 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL122604 0.97 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL19821335 0.97 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL6811206 0.97 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL18092159 0.92 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL23834444 0.92 NR5A2 (0.83) ALDH1A1SMN1; SMN2NR5A2NR5A1MAPT
SCHEMBL10498201 0.92 NR5A2 (0.83) ALDH1A1SMN1; SMN2NR5A2NR5A1MAPT

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 203 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250025552-A1 Pro-Inflammatory and Adjuvant Functions of Toll-Like Receptor 4 Antagonists CHILDREN`S MEDICAL CENTER CORPORATION 2025-01-23 US claimed
US-20240415957-A1 PRO-INFLAMMATORY AND ANTI-CANCER FUNCTIONS OF TOLL-LIKE RECEPTOR 4 ANTAGONISTS CHILDREN`S MEDICAL CENTER CORPORATION 2024-12-19 US claimed
US-20240398865-A1 TUMOR AVATAR VACCINE COMPOSITIONS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2024-12-05 US claimed
US-12070499-B2 Pro-inflammatory and adjuvant functions of toll-like receptor 4 antagonists CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-08-27 US claimed
US-12053522-B2 Pro-inflammatory and anti-cancer functions of toll-like receptor 4 antagonists CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-08-06 US claimed
US-20240122975-A1 IN VITRO METHODS AND COMPOSITIONS FOR ENHANCING THE ACTIVATION OF DENDRITIC CELLS AND T CELLS, AND FOR INDUCING A TH-1 IMMUNE RESPONSE NORTHWEST BIOTHERAPEUTICS, INC. (US) 2024-04-18 US claimed
CN-114894910-B New application of 1-palmitoyl-2-arachidonyl-sn-glycero-3-phosphorylcholine detection reagent 重庆医科大学附属第一医院 2023-10-20 CN claimed
CN-116209431-A Organ preservation and/or perfusion solution 西维沃医疗科技有限公司 2023-06-02 CN claimed
US-20230053338-A1 PRO-INFLAMMATORY AND ANTI-CANCER FUNCTIONS OF TOLL-LIKE RECEPTOR 4 ANTAGONISTS CHILDREN'S MEDICAL CENTER CORPORATION 2023-02-23 US claimed
US-20230042429-A1 Pro-Inflammatory and Adjuvant Functions of Toll-Like Receptor 4 Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-02-09 US claimed
US-11400153-B2 Pro-inflammatory and adjuvant functions of toll-like receptor 4 antagonists CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-08-02 US claimed
US-11351250-B2 Pro-inflammatory and anti-cancer functions of toll-like receptor 4 antagonists CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-06-07 US claimed
WO-2018067302-A2 THERAPEUTIC EFFECTS OF CELLULAR DELIVERY OF SMALL MOLECULES AND MACROMOLECULES WITH LIPOSOMAL SPHERICAL NUCLEIC ACIDS NORTH WESTERN UNIVERSITY (US) 2018-04-12 WO claimed
EP-2142199-B1 A PROCESS TO ACTIVATE EXTRACTS DERIVED FROM LIVING ORGANISMS USING LONG WAVE UV IRRADIATION AND COMPOSITIONS COMPRISING SAID ACTIVATED EXTRACT UNIV WIEN MED (AT) 2015-08-05 EP claimed
US-20140161733-A1 BIOMARKER-TARGETING CONTRAST AGENTS AND THEIR USE IN MAGNETIC RESONANCE IMAGING FOR DETECTION OF ATHEROSCLEROTIC PLAQUE LUNA INNOVATIONS INCORPORATED (US) 2014-06-12 US claimed
US-20260130855-A1 GAMMA POLYGLUTAMATED ANTIFOLATES AND USES THEREOF L E A F HOLDINGS GROUP LLC (US) 2026-05-14 US disclosed
US-12622874-B2 Trans-crocetin compositions and treatment regimens L.E.A.F. HOLDINGS GROUP LLC (US) 2026-05-12 US disclosed
US-20040047861-A1 Oxidized proteins, their biological activity, and therapeutic and diagnostic measures, which are derived from the active mechanism, from the use of these proteins or from the inhibition thereof HAMBURGER STIFTUNG ZUR FOERDERUNG VON WISSENSCHAFT UND KULTUR C/O MERA GMBH (DE) 2004-03-11 US disclosed
US-20040028749-A1 Treating inflammation and associated complications MINNESOTA, REGENTS OF THE UNIVERSITY OF 2004-02-12 US disclosed
US-20030229015-A1 Orally administered peptides synergize statin activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-12-11 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 (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-12622874-B2 Trans-crocetin compositions and treatment regimens CPT2, SOD1, TFRC ALDH1A1 3466/4885SMN1; SMN2 418/4885NR5A2 3415/4885
US-20260130855-A1 GAMMA POLYGLUTAMATED ANTIFOLATES AND USES THEREOF FOLR2, FPGS, FOLR1 ALDH1A1 4668/4885SMN1; SMN2 4549/4885NR5A2 3324/4885

“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.