SCHEMBL3080949

SCHEMBL3080949

CC(C)c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.57
RXRB P28702 6/20 0.57
RXRG P48443 2/20 0.57
DHODH Q02127 4/20 0.53
EGLN1 Q9GZT9 1/20 0.49
KIF11 P52732 1/20 0.47
CYP2C9 P11712 1/20 0.46
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
FFAR1 O14842 1/20 0.45
USP5 P45974 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44

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
SCHEMBL2627825 0.86 RXRA (0.68) RXRARXRBRXRGEGLN1KIF11
SCHEMBL3087257 0.84 RXRA (0.51) RXRARXRBRXRGDHODH
SCHEMBL2627836 0.84 RXRA (0.71) RXRARXRBRXRGAKR1C2
SCHEMBL15814719 0.83 DHODH (0.69) RXRARXRBRXRGDHODH
SCHEMBL16488615 0.83 DHODH (0.69) RXRARXRBRXRGDHODH
SCHEMBL18604547 0.81 DHODH (0.67) RXRARXRBRXRGDHODH
SCHEMBL4246903 0.81 DHODH (0.67) RXRARXRBRXRGDHODH
SCHEMBL14091422 0.80 KIF11 (0.47) RXRARXRBRXRGKIF11AKR1C2
SCHEMBL1356413 0.79 FABP3 (0.56) RXRARXRBRXRGCYP2C9CSNK2A2
SCHEMBL686581 0.79 RXRA (0.65) RXRARXRBRXRGDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7789943-B2 Metal, ligand molecular sieves; temperature adjustable pores; controlling particle size MIAMI UNIVERSITY (US) 2010-09-07 US claimed
US-20080184881-A1 MESH-ADJUSTABLE MOLECULAR SIEVE MIAMI UNIVERSITY (US) 2008-08-07 US claimed
US-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES YALE UNIVERSITY (US) 2011-03-17 US disclosed
US-7789943-B2 Metal, ligand molecular sieves; temperature adjustable pores; controlling particle size MIAMI UNIVERSITY (US) 2010-09-07 US disclosed
US-20080184881-A1 MESH-ADJUSTABLE MOLECULAR SIEVE MIAMI UNIVERSITY (US) 2008-08-07 US disclosed
US-20080184883-A1 Mesh-Adjustable Molecular Sieve MIAMI UNIVERSITY (US) 2008-08-07 US disclosed
US-20080184883-A1 Mesh-Adjustable Molecular Sieve MIAMI UNIVERSITY (US) 2008-08-07 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-20080184881-A1 MESH-ADJUSTABLE MOLECULAR SIEVE TRPA1, TRPM4, TRPV4 RXRA 3147/4885RXRB 3632/4885RXRG 3251/4885
US-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES HAVCR2, HCCS, HMBS RXRA 1737/4885RXRB 1781/4885RXRG 1472/4885

“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.