SCHEMBL4949941

SCHEMBL4949941

O=C(I)CCCCC(=O)I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 4/20 0.41
NFKB1 P19838 2/20 0.41
PMP22 Q01453 1/20 0.41
SLC22A6 Q4U2R8 2/20 0.35
CES2 O00748 4/20 0.35
CES1 P23141 4/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
GPR84 Q9NQS5 4/20 0.33
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
AKR1B1 P15121 1/20 0.33
CYP2D6 P10635 1/20 0.33
FOLH1 Q04609 1/20 0.33
PPARG P37231 4/20 0.32

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
SCHEMBL4952250 0.92
SCHEMBL5378688 0.87
SCHEMBL12967670 0.87
SCHEMBL15910005 0.84 TSHR (0.71) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL16257925 0.84
SCHEMBL14839286 0.84 TSHR (0.52) LMNATSHRNFKB1PMP22ALDH1A1
SCHEMBL14369099 0.84
SCHEMBL13707321 0.84
SCHEMBL4952228 0.82
SCHEMBL12967375 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016081670-A2 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-26 WO disclosed
US-20080146768-A1 PROCESSES FOR PREPARING POLYMERS USING ALPHA,OMEGA-DIFUNCTIONAL ALDARAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2008-06-19 US disclosed
EP-1858955-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-11-28 EP disclosed
US-20060264672-A1 Processes using alpha, omega-difunctional aldaramides as monomers and crosslinkers E. I. DU PONT DE NEMOURS AND COMPANY 2006-11-23 US disclosed
WO-2006091901-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-31 WO disclosed
US-6730810-B2 HOMOGENOUS MIXTURE COMPRISING ACID HALIDE WITH HYDROXY CARBOXYLIC ACIDS AND ANHYDRIDE; DISCOLORATION INHIBITION HUNTSMAN PETROCHEMICAL CORPORATION 2004-05-04 US disclosed
US-20030120089-A1 Anhydride stabilization HUNTSMAN PETROCHEMICAL CORPORATION 2003-06-26 US disclosed
EP-0303382-B1 PROCESS FOR THE PREPARATION OF MESO 2,5-DIHALOADIPATES PFIZER INC. (US) 1992-03-18 EP disclosed
EP-0303382-A1 Process for the preparation of meso 2,5-dihaloadipates PFIZER INC. (US) 1989-02-15 EP disclosed
US-4736059-A Process for the preparation of meso 2,5-dihaloadipates PFIZER INC. (US) 1988-04-05 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-20030120089-A1 Anhydride stabilization CA7, CA4, CA9 LMNA 1908/4885TSHR 4211/4885NFKB1 1878/4885
US-20060264672-A1 Processes using alpha, omega-difunctional aldaramides as monomers and crosslinkers ALOX5, GSTO1, FASN LMNA 1016/4885TSHR 4512/4885NFKB1 1615/4885

“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.