SCHEMBL4863249

SCHEMBL4863249

CCCCCCCCCCCC(=O)C(O)C(O)C(=O)CCCCCCCCCCC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.64
CES1 P23141 3/20 0.56
PPARG P37231 3/20 0.54
PPARD Q03181 3/20 0.54
PPARA Q07869 3/20 0.54
TSHR P16473 2/20 0.54
GPR84 Q9NQS5 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
TLR2 O60603 1/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54
FABP4 P15090 1/20 0.54
ALOX15 P16050 1/20 0.54
PTPN1 P18031 1/20 0.54
PDE4A P27815 1/20 0.54
KMT2A Q03164 1/20 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
SCHEMBL3178705 1.00 CES2 (0.64) CES2CES1PPARGPPARDPPARA
SCHEMBL4865398 1.00 CES2 (0.64) CES2CES1PPARGPPARDPPARA
SCHEMBL4860910 1.00 CES2 (0.64) CES2CES1PPARGPPARDPPARA
SCHEMBL4856778 0.97 CES2 (0.60) CES2CES1TSHRGPR84ALDH1A1
SCHEMBL5936351 0.91 CES2 (0.59) CES2CES1PPARGPPARDPPARA
SCHEMBL9057797 0.91 CES2 (0.59) CES2CES1PPARGPPARDPPARA
SCHEMBL9054385 0.91 CES2 (0.59) CES2CES1PPARGPPARDPPARA
SCHEMBL3939399 0.91 CES2 (0.59) CES2CES1PPARGPPARDPPARA
SCHEMBL9465217 0.91 CES2 (0.59) CES2CES1PPARGPPARDPPARA
SCHEMBL11784529 0.91 CES2 (0.59) CES2CES1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452551-B1 Targeted compositions for diagnostic and therapeutic use IMARX THERAPEUTICS, INC. (US) 2008-11-18 US disclosed
US-7329402-B2 Methods of imaging and treatment IMARX PHARMACEUTICAL CORP. (US) 2008-02-12 US disclosed
CN-1727008-A Gas bearing activator of dry powder in use for diagnosing and/or treating thrombus UNIV XI AN JIAOTONG (CN) 2006-02-01 CN disclosed
EP-1365805-A2 NOVEL TARGETED COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC USE Imarx Therapeutics, Inc. (US) 2003-12-03 EP disclosed
US-20030157025-A1 Novel methods of imaging and treatment with targeted compositions UNGER EVAN C (US) 2003-08-21 US disclosed
US-6521211-B1 Administering gases and ligand mixtures encapsulated in vesicles, scanning with ultrasonic frequency to oscillateand collapse the micelles, then detecting the reflected signals; medical diagnosis BRISTOL-MYERS SQUIBB MEDICAL IMAGING, INC. 2003-02-18 US disclosed
WO-2002036161-A2 NOVEL TARGETED COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX THERAPEUTICS, INC. (US) 2002-05-10 WO disclosed
EP-1146911-A2 NOVEL METHODS OF IMAGING AND TREATMENT WITH TARGETED COMPOSITIONS IMARX PHARMACEUTICAL CORP. (US) 2001-10-24 EP disclosed
WO-2000045856-A2 NOVEL METHODS OF IMAGING AND TREATMENT WITH TARGETED COMPOSITIONS IMARX PHARMACEUTICAL CORP. (US) 2000-08-10 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-20030157025-A1 Novel methods of imaging and treatment with targeted compositions FABP3, PLAUR, ASGR1 CES2 4467/4885CES1 3662/4885PPARG 857/4885

“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.