SCHEMBL1458089

SCHEMBL1458089

CC(C)Oc1cc(CO)cc(OC(C)C)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
CSNK2A1 P68400 2/20 0.36
KCNH2 Q12809 7/20 0.34
TMEM97 Q5BJF2 7/20 0.34
SIGMAR1 Q99720 7/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ACHE P22303 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL26166035 0.82 CYP4F2 (0.41) CYP4F2CYP4A11CSNK2A1KCNH2TMEM97
SCHEMBL22817442 0.77 CYP4F2 (0.35) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1
SCHEMBL2491543 0.76 CYP4F2 (0.36) CYP4F2CYP4A11ACHEGRIN2DGRIN3B
SCHEMBL7043801 0.76 CSNK2A1 (0.47) CYP4F2CYP4A11CSNK2A1KCNH2TMEM97
SCHEMBL15904289 0.76 CYP4F2 (0.46) CYP4F2CYP4A11CSNK2A1RXRARXRB
SCHEMBL27883376 0.74 CSNK2A1 (0.33) CSNK2A1KCNH2TMEM97SIGMAR1
SCHEMBL1121343 0.73 HTT (0.40) CYP4F2CYP4A11ACHEMEN1LMNA
SCHEMBL10088549 0.73 CSNK2A1 (0.41) CYP4F2CYP4A11CSNK2A1ADRA1DADRA1A
SCHEMBL5107914 0.72 GRIN2D (0.55) CYP4F2CYP4A11ACHEGRIN2DGRIN3B
SCHEMBL13803161 0.72 NPC1 (0.40) CSNK2A1THRBALOX15TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
CN-102639487-A Therapeutic aryl-amido-aryl compounds and their uses KING S COLLEGE LONDON 2012-08-15 CN disclosed
EP-2473479-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE King's College London (GB) 2012-07-11 EP disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 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 (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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG CYP4F2 2706/4885CYP4A11 492/4885CSNK2A1 1160/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG CYP4F2 2706/4885CYP4A11 492/4885CSNK2A1 1160/4885

“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.