SCHEMBL3315890

SCHEMBL3315890

O=C(O)C1CC=CCC1C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.56
TDP1 Q9NUW8 5/20 0.56
GAA P10253 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 3/20 0.51
HSD17B10 Q99714 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL445084 0.94 POLB (0.47) POLBTDP1GAASMN1; SMN2TSHR
Benzoic Acid SCHEMBL6049039 0.86 TDP1 (0.62) POLBTDP1GAASMN1; SMN2TSHR
SCHEMBL18668123 0.83 SMN1; SMN2 (0.51) POLBTDP1GAASMN1; SMN2KMT2A
SCHEMBL16521477 0.79 KMO (0.58) TSHRALDH1A1MAPTHTT
SCHEMBL8775309 0.79 KMO (0.58) TSHRALDH1A1MAPTHTT
SCHEMBL11374054 0.79 KMO (0.58) TSHRALDH1A1MAPTHTT
SCHEMBL7000719 0.79 AKR1C3 (0.45) POLBTDP1GAASMN1; SMN2TSHR
SCHEMBL10739512 0.78 POLB (0.54) POLBTDP1GAASMN1; SMN2TSHR
SCHEMBL31737192 0.78 POLB (0.54) POLBTDP1GAASMN1; SMN2TSHR
SCHEMBL10739509 0.78 POLB (0.54) POLBTDP1GAASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 POLB 2943/4885TDP1 4511/4885GAA 4240/4885

“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.