SCHEMBL3314637

SCHEMBL3314637

CCOC(=O)C1CCCCC1(O)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 5/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
OPRM1 P35372 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3318341 0.90 POLB (0.40) SMN1; SMN2GAANPSR1ALDH1A1POLB
SCHEMBL3321277 0.88 KMT2A (0.42) SMN1; SMN2GAANPSR1ALDH1A1POLB
SCHEMBL3318434 0.88 SMN1; SMN2 (0.47) SMN1; SMN2GAANPSR1ALDH1A1POLB
SCHEMBL3314415 0.88 ALDH1A1 (0.40) SMN1; SMN2NPSR1ALDH1A1MAPTTSHR
SCHEMBL3318629 0.84 HTT (0.39) SMN1; SMN2GAANPSR1ALDH1A1POLB
SCHEMBL3316425 0.81 KDM4E (0.46) ALDH1A1POLBKMT2AMEN1MAPK1
SCHEMBL3319349 0.80 KMT2A (0.43) SMN1; SMN2ALDH1A1POLBMAPTTSHR
SCHEMBL3318083 0.80 FKBP1A (0.37) SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL13398010 0.80 FKBP1A (0.37) SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL3320782 0.79 LMNA (0.41) SMN1; SMN2ALDH1A1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
EP-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed
EP-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
EP-2129659-A1 ALPHA-HYDROXYKETONES BASF SE (DE) 2009-12-09 EP disclosed
WO-2008122504-A1 ALPHA-HYDROXYKETONES BASF SE (CH) 2008-10-16 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-20100104979-A1 ALPHA-HYDROXYKETONES C9, C1R, CBR3 SMN1; SMN2 4802/4885GAA 4240/4885NPSR1 956/4885

“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.