SCHEMBL3534377

SCHEMBL3534377

CCOC(=O)COc1ccc(SCCCc2ccc(-c3ccc(CCCSc4ccc(OCC(=O)OCC)c(C(F)(F)F)c4)cc3)cc2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
PPARD Q03181 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
ESR1 P03372 3/20 0.39
ALDH1A1 P00352 1/20 0.39
SYK P43405 1/20 0.39
ABCB1 P08183 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
AR P10275 1/20 0.38
S1PR4 O95977 1/20 0.37

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
SCHEMBL3534420 0.86 PPARD (0.49) RXRARXRBRXRGPPARDPTGDR2
SCHEMBL3534381 0.83 RXRA (0.44) RXRARXRBRXRGPPARDPTGDR2
SCHEMBL3533449 0.80 TDP1 (0.43) RXRARXRBRXRGPPARDPTGDR2
SCHEMBL14449267 0.78 PTGDR2 (0.38) PPARDPTGDR2ESR1PPARGPPARA
SCHEMBL14449269 0.78 PPARD (0.37) PPARDPTGDR2ESR1ALDH1A1PPARG
SCHEMBL6818066 0.77 CYP4F2 (0.49) RXRARXRBRXRGESR1ALDH1A1
SCHEMBL13858406 0.77 RXRA (0.49) RXRARXRBRXRGESR1ALDH1A1
SCHEMBL6813496 0.76 RXRA (0.46) RXRARXRBRXRGESR1ALDH1A1
SCHEMBL13858593 0.76 RXRA (0.48) RXRARXRBRXRGESR1ALDH1A1
SCHEMBL3539139 0.74 PPARD (0.42) RXRARXRBRXRGPPARDPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 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-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD RXRA 19/4885RXRB 20/4885RXRG 10/4885

“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.