SCHEMBL4252389

SCHEMBL4252389

CC(C)COC(=O)C(I)C(I)C(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX4 Q99571 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 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
SCHEMBL30002595 0.84 TSHR (0.48) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL18175287 0.82 TSHR (0.46) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL21811683 0.78 TSHR (0.43) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL41548 0.78 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL2275427 0.78 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL30145011 0.78 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL10154356 0.77 TSHR (0.46) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL27617605 0.77 TSHR (0.46) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL6744316 0.77 TSHR (0.46) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL5481281 0.76 TSHR (0.50) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101497571-B Process for producing chromone compound SUMITOMO CO LTD 2012-07-04 CN disclosed
CN-1911896-B Process for producing benzopyrone compound SUMITOMO CHEMICAL CO 2010-09-15 CN disclosed
EP-2105432-A1 Process for Producing Chromone Compound Sumitomo Chemical Company, Limited (JP) 2009-09-30 EP disclosed
EP-2105431-A1 Process for Producing Chromone Compound Sumitomo Chemical Company, Limited (JP) 2009-09-30 EP disclosed
CN-101497571-A Process for producing chromone compound SUMITOMO CHEMICAL CO (JP) 2009-08-05 CN disclosed
CN-100509751-C Process for producing benzopyranone compound SUMITOMO CHEMICAL CO (JP) 2009-07-08 CN disclosed
EP-1867626-A2 Process for producing chromone compound Sumitomo Chemical Company, Limited (JP) 2007-12-19 EP disclosed
CN-1911896-A Process for producing chromone compound SUMITOMO CHEMICAL CO (JP) 2007-02-14 CN disclosed
US-20060217565-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-28 US disclosed
US-7094914-B2 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-22 US disclosed
CN-1649824-A Process for producing benzopyranone compound SUMITOMO CHEMICAL CO (JP) 2005-08-03 CN disclosed
US-20050085664-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LMITED (JP) 2005-04-21 US disclosed
EP-1479667-A1 PROCESS FOR PRODUCING CHROMONE COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-24 EP 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 (2 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-20050085664-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL TSHR 1710/4885ALDH1A1 3157/4885SMN1; SMN2 4299/4885
US-20060217565-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL TSHR 1710/4885ALDH1A1 3157/4885SMN1; SMN2 4299/4885

“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.