SCHEMBL3218540

SCHEMBL3218540

CCOc1cc(N(Cc2cncs2)c2ccc(C(=O)OC(C)(C)C)cc2)ccc1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
HRH4 Q9H3N8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
F7 P08709 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 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
SCHEMBL3201995 0.93 HRH4 (0.39) HRH4HDAC6TRPM8ALDH1A1MAPK1
SCHEMBL3125802 0.92 RAB9A (0.39) RXRARXRBRXRGHRH4HDAC6
SCHEMBL3205815 0.90 HRH4 (0.38) HRH4HDAC6TRPM8ALDH1A1MAPT
SCHEMBL3202717 0.90 RXRA (0.36) RXRARXRBRXRGHDAC6
SCHEMBL3199311 0.90 RXRA (0.37) RXRARXRBRXRGHDAC6TRPM8
SCHEMBL3204089 0.89 TSHR (0.40) HRH4HDAC6TRPM8MAPTMAPK1
SCHEMBL3213511 0.88 RXRA (0.53) RXRARXRBRXRGHRH4TRPM8
SCHEMBL3126060 0.86 HDAC6 (0.37) RXRARXRBRXRGHRH4HDAC6
SCHEMBL3122772 0.85 HDAC6 (0.39) RXRAHDAC6TRPM8RAB9A
SCHEMBL3201201 0.85 HRH4 (0.36) HRH4HDAC6TRPM8MAPTMAPK1

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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B RXRA 2856/4885RXRB 2676/4885RXRG 3004/4885

“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.