SCHEMBL3202834

SCHEMBL3202834

CCOc1ccc(N(Cc2cnco2)c2ccc(C(=O)OC(C)(C)C)cc2)cc1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

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
NAMPT P43490 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PPARG P37231 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3192199 0.93 HRH4 (0.39) HRH4NAMPTAAK1IMPDH2IMPDH1
SCHEMBL3192278 0.91 AAK1 (0.39) RXRARXRBRXRGNAMPTAAK1
SCHEMBL3215544 0.90 TSHR (0.40) HRH4NAMPTAAK1IMPDH2IMPDH1
SCHEMBL3219020 0.90 RXRA (0.36) RXRARXRBRXRGNAMPTAAK1
SCHEMBL3126123 0.89 HRH4 (0.38) RXRARXRBRXRGHRH4NAMPT
SCHEMBL3201229 0.89 TP53 (0.38) HRH4NAMPTAAK1IMPDH2IMPDH1
SCHEMBL3194503 0.88 RXRA (0.53) RXRARXRBRXRGHRH4PPARG
SCHEMBL3203192 0.87 RXRA (0.42) RXRARXRBRXRGHDAC6PPARG
SCHEMBL3246639 0.86 RXRA (0.40) RXRARXRBRXRGHRH4NAMPT
SCHEMBL3203897 0.86 HDAC6 (0.36) NAMPTAAK1HDAC6GPR119

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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO 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.