SCHEMBL2220339

SCHEMBL2220339

CCCCCCCCCCCCCCCC1CC(=O)OC(=O)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.62
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
PPARG P37231 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.39
PRKCA P17252 6/20 0.38
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HLCS P50747 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL14119910 1.00 CYP1A2 (0.62) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL4072508 0.98 CYP1A2 (0.65) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL3688744 0.92 CYP1A2 (0.56) CYP1A2ALDH1A1TSHRPPARGPRKCA
SCHEMBL442643 0.83 CYP1A2 (0.46) CYP1A2ALDH1A1TSHRPPARGKMT2A
SCHEMBL2690939 0.81 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL19976638 0.81 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL6707183 0.81 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL664978 0.81 CYP1A2 (0.69) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL6662416 0.81 CYP1A2 (0.69) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL28296028 0.81 CYP1A2 (0.69) CYP1A2ALDH1A1TSHRPPARGL3MBTL1

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-20130053433-A1 FATTY ACID DERIVATIVES AND ANALOGS OF DRUGS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-02-28 US claimed
EP-2521446-A2 FATTY ACID DERIVATIVES AND ANALOGS OF DRUGS The University of North Carolina At Chapel Hill (US) 2012-11-14 EP claimed
WO-2011085000-A2 FATTY ACID DERIVATIVES AND ANALOGS OF DRUGS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-07-14 WO claimed
WO-2014008159-A1 SELECTIVE ESTROGEN RECEPTOR DEGRADERS FOR TREATMENT OF TAMOXIFEN RESISTANT TUMORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-01-09 WO disclosed
WO-2014008159-A1 SELECTIVE ESTROGEN RECEPTOR DEGRADERS FOR TREATMENT OF TAMOXIFEN RESISTANT TUMORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-01-09 WO disclosed
US-20130053433-A1 FATTY ACID DERIVATIVES AND ANALOGS OF DRUGS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-02-28 US disclosed
US-20130053433-A1 FATTY ACID DERIVATIVES AND ANALOGS OF DRUGS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-02-28 US disclosed
EP-2521446-A2 FATTY ACID DERIVATIVES AND ANALOGS OF DRUGS The University of North Carolina At Chapel Hill (US) 2012-11-14 EP disclosed
WO-2011085000-A2 FATTY ACID DERIVATIVES AND ANALOGS OF DRUGS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-07-14 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-20130053433-A1 FATTY ACID DERIVATIVES AND ANALOGS OF DRUGS FFAR2, FASN, FFAR4 CYP1A2 384/4885ALDH1A1 288/4885TSHR 1504/4885

“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.