SCHEMBL1891306

SCHEMBL1891306

CCCCCCCCCCCC(C)(C)NC(C)(C)CCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
GGPS1 O95749 6/20 0.39
FDPS P14324 9/20 0.38
EPHX1 P07099 1/20 0.38
SMPD1 P17405 2/20 0.37
CES2 O00748 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL2397669 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL517658 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL518405 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL517884 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSEPHX1
Bromide SCHEMBL31470931 0.97 TSHR (0.42) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL518098 0.97 TSHR (0.39) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL479334 0.90 EPHX1 (0.38) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL18457877 0.90 TSHR (0.40) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL517449 0.88 TSHR (0.35) TSHRTHRBFDPSEPHX1
SCHEMBL3431417 0.86 TSHR (0.35) TSHRTHRBGGPS1FDPSEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939562-B2 fatty acid chain are derived from natural vegetable oils such as vernonia oil, lesquerella oil and castor oil, in which the several reactive groups such as epoxy, hydroxy and double bonds can be modified to polar and ionic groups BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2011-05-10 US disclosed
EP-1360168-A4 AMPHIPHILIC DERIVATIVES FOR THE PRODUCTION OF VESICLES, MICELLES AND COMPLEXANTS, AND PRECURSORS THEREOF UNIV BEN GURION (IL) 2007-10-31 EP disclosed
US-20050118248-A1 Amphiphilic derivatives for the production of vesicles, micelles and complexants, and precursors thereof BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DE (IL) 2005-06-02 US disclosed
EP-1360168-A2 AMPHIPHILIC DERIVATIVES FOR THE PRODUCTION OF VESICLES, MICELLES AND COMPLEXANTS, AND PRECURSORS THEREOF Ben Gurion University Of The Negev Research And Development Authority (IL) 2003-11-12 EP disclosed
WO-2002055011-A2 AMPHIPHILIC DERIVATIVES FOR THE PRODUCTION OF VESICLES, MICELLES AND COMPLEXANTS, AND PRECURSORS THEREOF UNIV BEN GURION (IL) 2002-07-18 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-20050118248-A1 Amphiphilic derivatives for the production of vesicles, micelles and complexants, and precursors thereof CHMP4B, LIPA, VPS4B TSHR 4405/4885THRB 3877/4885GGPS1 359/4885

“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.