SCHEMBL3082270

SCHEMBL3082270

O=C(O)c1cc(C(=O)O)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.72
RXRB P28702 8/20 0.72
RXRG P48443 6/20 0.72
DHODH Q02127 2/20 0.54
CES2 O00748 1/20 0.54
P2RY14 Q15391 3/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
SRD5A2 P31213 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SLC6A2 P23975 1/20 0.44
P2RX1 P51575 1/20 0.43
AURKA O14965 1/20 0.42
TPX2 Q9ULW0 1/20 0.42

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
SCHEMBL17048588 0.96 RXRA (0.72) RXRARXRBRXRGDHODHCES2
SCHEMBL16809141 0.87 RXRA (0.62) RXRARXRBRXRGDHODHCES2
SCHEMBL503980 0.87 CES2 (0.70) RXRARXRBRXRGCES2P2RY14
SCHEMBL545011 0.87 CES2 (0.62) RXRARXRBRXRGDHODHCES2
SCHEMBL121358 0.85 RXRA (0.69) RXRARXRBRXRGDHODHP2RY14
SCHEMBL25560565 0.85 RXRA (0.74) RXRARXRBRXRGDHODHP2RY14
SCHEMBL30469526 0.85 RXRA (0.74) RXRARXRBRXRGDHODHP2RY14
SCHEMBL28119413 0.85 CES2 (0.67) RXRARXRBRXRGCES2P2RY14
Hydrochloric Acid SCHEMBL7485970 0.85 CES2 (0.67) RXRARXRBRXRGCES2P2RY14
SCHEMBL23698041 0.84 RXRA (1.00) RXRARXRBRXRGDHODHSRD5A2

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 4 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-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

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-20080184881-A1 MESH-ADJUSTABLE MOLECULAR SIEVE TRPA1, TRPM4, TRPV4 RXRA 3147/4885RXRB 3632/4885RXRG 3251/4885

“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.