SCHEMBL2477899

SCHEMBL2477899

CCOc1ccc(Cl)cc1OBOc1cc(Cl)ccc1OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 3/20 0.44
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HTR2A P28223 1/20 0.43
TACR2 P21452 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
GAA P10253 2/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.41
DRD4 P21917 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3411402 0.93 TSHR (0.49) TSHRHPGDMAPTHTR2CHTR2B
SCHEMBL2525158 0.86 TSHR (0.56) TSHRHPGDMAPTHTR2CHTR2B
SCHEMBL21596050 0.81 MAPT (0.59) TSHRHPGDMAPTSLC6A2SLC6A4
SCHEMBL2477340 0.79 MAPT (0.53) TSHRHPGDMAPTGAAATM
SCHEMBL4284080 0.79 SLC6A4 (0.48) TSHRHTR2ASLC6A2SLC6A4TDP1
SCHEMBL519223 0.79 TRPV4 (0.47) TSHRHPGDMAPTSLC6A2SLC6A4
SCHEMBL4018504 0.78 L3MBTL1 (0.46) TSHRHPGDMAPTCYP1A2CYP2D6
SCHEMBL23251387 0.77 TSHR (0.47) TSHRHPGDMAPTHTR2CHTR2B
SCHEMBL12468187 0.77 CYP1A2 (0.55) TSHRHPGDMAPTHTR2CHTR2B
SCHEMBL1547765 0.76 TDP1 (0.56) TSHRHPGDMAPTATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265583-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-12 EP disclosed
EP-2265583-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-12-29 EP disclosed
US-7723372-B2 Spiroindolinone derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
WO-2009115425-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-24 WO disclosed
US-20090239889-A1 Spiroindolinone Derivatives LIU JIN-JUN 2009-09-24 US disclosed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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 (3 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT TSHR 4049/4885HPGD 1097/4885MAPT 3800/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT TSHR 4067/4885HPGD 1452/4885MAPT 3707/4885
US-20090239889-A1 Spiroindolinone Derivatives CCNY, RB1, NQO1 TSHR 1208/4885HPGD 817/4885MAPT 4069/4885

“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.