SCHEMBL4856778

SCHEMBL4856778

CCCCCC(=O)C(O)C(O)C(=O)CCCCC

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.60
CES1 P23141 4/20 0.55
AKR1B1 P15121 1/20 0.52
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
GPR84 Q9NQS5 1/20 0.50

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
SCHEMBL4865398 0.97 CES2 (0.64) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL4860910 0.97 CES2 (0.64) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL4863249 0.97 CES2 (0.64) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL3178705 0.97 CES2 (0.64) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL9464032 0.90 CES2 (0.56) CES2CES1AKR1B1
SCHEMBL5936351 0.88 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL9057797 0.88 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL2734730 0.88 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL9054385 0.88 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL11784529 0.88 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6

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-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
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

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 3662/4885AKR1B1 4821/4885

“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.