SCHEMBL3271576

SCHEMBL3271576

CC(C)c1cc(C(C)C)c(OO)c(C(C)C)c1OO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
GABRA1 P14867 6/20 0.33
GABRB1 P18505 4/20 0.33
GABRB2 P47870 4/20 0.33
LMNA P02545 2/20 0.31
SLC6A2 P23975 2/20 0.31
HTR2B P41595 2/20 0.31
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA1A P35348 1/20 0.31
FAAH O00519 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR2C P28335 1/20 0.31
GABRB3 P28472 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
SCHEMBL11574289 0.87 LMNA (0.33) CA1CA2LMNASLC6A2HTR2B
SCHEMBL11577397 0.86 LMNA (0.40) CA1CA2GABRA1GABRB1LMNA
SCHEMBL3271549 0.79
SCHEMBL11574434 0.78 PDK1 (0.39) LMNACYP3A4
SCHEMBL3267228 0.76 GABRA1 (0.50) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL8612839 0.74 CA1 (0.31) CA1CA2
SCHEMBL1877670 0.74 CA1 (0.34) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL461156 0.72 GABRA1 (0.40) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL2128725 0.72
SCHEMBL20281307 0.71 GABRA1 (0.30) GABRA1GABRB1

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
EP-1459804-B1 CATALYSTS COMPRISING CYCLIC ACYLUREA COMPOUNDS AND OXIDATION AND NITRATION REACTIONS OF ORGANIC COMPOUNDS IN THE PRESENCE OF THE SAME DAICEL CHEM (JP) 2010-06-02 EP disclosed
US-7288649-B2 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-30 US disclosed
US-7091342-B2 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-15 US disclosed
US-20060030716-A1 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst ISHII YASUTAKA 2006-02-09 US disclosed
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1459804-A1 CATALYSTS COMPRISING CYCLIC ACYLUREA COMPOUNDS AND PROCESSES FOR PRODUCTION OF ORGANIC COMPOUNDS WITH THE SAME Daicel Chemical Industries, Ltd. (JP) 2004-09-22 EP disclosed
US-4469899-A Process for producing phloroglucin SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-09-04 US disclosed
US-4448234-A COATING OF PEROXIDE, ACID, CONDENSATION POLYMER OR PREPOLYMER; GASSING WITH SULFUR DIOXIDE TO CURE CL INDUSTRIES, INC. (US) 1984-05-15 US disclosed
US-4080386-A OXIDATION OF AN ARYL TERTIARY ALKANE, TREATING RECYCLE STREAM WITH AN ALKALINE EXTRACTANT THE GOODYEAR TIRE & RUBBER CO. (US) 1978-03-21 US disclosed
US-3978142-A BY ACID REARRANGEMENT 3978142 MOD 3978142 AND CLEAVAGE OF ARALKYL TERTIARY POLYHYDROPEROXIDE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-08-31 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-20060030716-A1 Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst MOGAT2, HAT1, ACOX1 CA1 816/4885CA2 375/4885GABRA1 3434/4885
US-20050020439-A1 Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same MOGAT2, ACSS2, ACOX1 CA1 789/4885CA2 321/4885GABRA1 3376/4885

“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.