SCHEMBL5046503

SCHEMBL5046503

O=C(OC(=O)C1CCCCO1)C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 6/20 0.38
POLB P06746 4/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 3/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL31343355 0.98 HPGD (0.43) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL9328453 0.93 NOS2 (0.46) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL30135339 0.93 NOS2 (0.46) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL30135380 0.93 NOS2 (0.46) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL27725570 0.86 HPGD (0.44) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL8009356 0.85 HPGD (0.34) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL22076454 0.85 HPGD (0.41) HPGDTSHRNPSR1ALDH1A1POLB
SCHEMBL27725568 0.84 HPGD (0.43) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL28666355 0.83 HPGD (0.40) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL2200874 0.83 HPGD (0.49) HPGDTSHRNPSR1ALDH1A1POLB

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-7465817-B2 Inositolized phospholipids CHARITE-UNIVERSITATS MEDIZIN BERLIN (DE) 2008-12-16 US disclosed
EP-1562609-B1 INOSITOLIZED PHOSPHOLIPIDS CHARITE UNIVERSITAETSMEDIZIN (DE) 2006-10-25 EP disclosed
US-20060105996-A1 Inositolized phospholipids CHARITE-UNIVERSITATS MEDIZIN BERLIN (DE) 2006-05-18 US disclosed
EP-1562609-A1 INOSITOLIZED PHOSPHOLIPIDS Charité - Universitätsmedizin Berlin (DE) 2005-08-17 EP disclosed
WO-2004045623-A1 INOSITOLIZED PHOSPHOLIPIDS CHARITÉ-UNIVERSITÄTS MEDIZIN BERLIN (DE) 2004-06-03 WO disclosed
EP-1421941-A1 Phospholipid derivatives having a polyhydroxylated aliphatic carbocycle Reutter, Werner, Prof. Dr. (DE) 2004-05-26 EP 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-20060105996-A1 Inositolized phospholipids PHOSPHO1, SGMS1, CDIPT HPGD 1416/4885TSHR 2266/4885NPSR1 1431/4885

“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.