SCHEMBL3131869

SCHEMBL3131869

CCOc1ccc(N(Cc2cncnc2)c2ccc(C(=O)O)cc2)cc1OCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
RXRA P19793 14/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
POLB P06746 2/20 0.44
CASP6 P55212 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.42
PPARG P37231 1/20 0.41
LTC4S Q16873 1/20 0.40

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
SCHEMBL3120710 0.95 L3MBTL1 (0.51) TSHRRXRARXRBRXRGL3MBTL1
SCHEMBL3126121 0.95 TSHR (0.55) TSHRRXRARXRBRXRGL3MBTL1
SCHEMBL3128439 0.92 RXRA (0.55) TSHRRXRARXRBRXRGPOLB
SCHEMBL3123416 0.91 RXRA (0.44) TSHRRXRARXRBRXRGL3MBTL1
SCHEMBL3127725 0.90 MRGPRX4 (0.47) TSHRRXRAPOLBCASP6LMNA
SCHEMBL3202677 0.86 HDAC6 (0.36) TSHRRXRARXRBRXRGL3MBTL1
SCHEMBL3127770 0.85 TSHR (0.52) TSHRRXRAPOLBCASP6L3MBTL1
SCHEMBL3131075 0.85 TSHR (0.46) TSHRRXRAPOLBCASP6L3MBTL1
SCHEMBL3192272 0.84 RXRA (0.43) TSHRRXRARXRBRXRGPOLB
SCHEMBL3202322 0.84 RXRA (0.43) TSHRRXRARXRBRXRGPOLB

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 6 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 claimed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO claimed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
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 TSHR 1908/4885RXRA 2856/4885RXRB 2676/4885

“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.