SCHEMBL5680332

SCHEMBL5680332

CC(=O)O[C@H]1O[C@H](COC(=O)c2ccccc2C)[C@@H](OC(=O)c2ccccc2C)[C@@]1(C)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
BCHE P06276 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ANTXR2 P58335 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1824333 0.97 TSHR (0.39) TSHRADRB2ADRB1ADRB3L3MBTL1
SCHEMBL5680406 0.90 ADRB2 (0.37) TSHRADRB2ADRB1ADRB3L3MBTL1
SCHEMBL5682285 0.85 ALDH1A1 (0.41) ADRB2ADRB1ADRB3L3MBTL1BCHE
SCHEMBL13065489 0.81 ALDH1A1 (0.47) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL3293698 0.81 ALDH1A1 (0.47) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL14364291 0.81 ALDH1A1 (0.47) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL3293695 0.81 ALDH1A1 (0.47) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL14377586 0.81 ALDH1A1 (0.47) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL6295192 0.79 UPP1 (0.44) TSHRMEN1KMT2AALDH1A1CYP1A2
SCHEMBL5677684 0.77 L3MBTL1 (0.39) TSHRADRB2ADRB1ADRB3L3MBTL1

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-6891036-B2 Process for the preparation of ribofuranose derivatives INALCO S.P.A. (IT) 2005-05-10 US claimed
US-20040158059-A1 Process for the preparation of ribofuranose derivatives INALCO S.P.A. (IT) 2004-08-12 US claimed
EP-1631573-A1 PROCESS FOR THE PREPARATION OF RIBOFURANOSE DERIVATIVES INALCO SpA (IT) 2006-03-08 EP disclosed
US-6891036-B2 Process for the preparation of ribofuranose derivatives INALCO S.P.A. (IT) 2005-05-10 US disclosed
WO-2004069851-A1 PROCESS FOR THE PREPARATION OF RIBOFURANOSE DERIVATIVES INALCO S.P.A. (IT) 2004-08-19 WO disclosed
US-20040158059-A1 Process for the preparation of ribofuranose derivatives INALCO S.P.A. (IT) 2004-08-12 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-20040158059-A1 Process for the preparation of ribofuranose derivatives RNGTT, RPIA, MRM1 TSHR 3367/4885ADRB2 4776/4885ADRB1 4238/4885

“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.