SCHEMBL13657995

SCHEMBL13657995

CC(C)c1ccc(C2=CCC(c3cccc(C(=O)O)c3)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
KMO O15229 1/20 0.40
PARP1 P09874 1/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
RORC P51449 1/20 0.35
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34

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
SCHEMBL12171895 0.88 RXRA (0.42) RXRARXRBRXRGMRGPRX4KMO
SCHEMBL13657991 0.79 RXRA (0.40) RXRARXRBRXRGMRGPRX4KMO
SCHEMBL31346163 0.74 TDP1 (0.47) RXRARXRBRXRGMRGPRX4KMO
SCHEMBL13657944 0.72 SMN1; SMN2 (0.47) RXRARXRBRXRGMRGPRX4KMO
SCHEMBL13002189 0.72 KMO (0.46) KMOPARP1ALDH1A1KDM4EMEN1
SCHEMBL2627836 0.72 RXRA (0.71) RXRARXRBRXRGMRGPRX4KMO
SCHEMBL13658003 0.71 RXRA (0.41) RXRARXRBRXRGMRGPRX4KMO
SCHEMBL13658007 0.70 GRIN2B (0.45) RXRARXRBRXRGMRGPRX4KMO
SCHEMBL13657987 0.70 RXRA (0.40) RXRARXRBRXRGMRGPRX4KMO
SCHEMBL4274420 0.68 PARP1 (0.72) KMOPARP1AKR1C3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use PCT THERAPEUTICS, INC. (US) 2009-10-08 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-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 RXRA 2196/4885RXRB 2075/4885RXRG 1710/4885

“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.