SCHEMBL3315896

SCHEMBL3315896

O=COC1CC=CCC1C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES1 P23141 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
HBB P68871 1/20 0.34
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 2/20 0.34
EPHX1 P07099 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 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
SCHEMBL445084 0.79 POLB (0.47) POLBTDP1ALDH1A1TSHRGAA
SCHEMBL11756611 0.78 MCL1 (0.44) POLBTDP1ALDH1A1MAPK1MCL1
SCHEMBL3321898 0.76 TAAR1 (0.35) TDP1ALDH1A1MAPK1GAAMAPT
SCHEMBL3315890 0.74 POLB (0.56) POLBTDP1ALDH1A1TSHRGAA
SCHEMBL9592504 0.68 POLB (0.49) POLBTDP1TSHRGAASMN1; SMN2
SCHEMBL9518832 0.68 POLB (0.49) POLBTDP1TSHRGAASMN1; SMN2
SCHEMBL9517909 0.68 POLB (0.49) POLBTDP1TSHRGAASMN1; SMN2
SCHEMBL7850490 0.67 KMO (0.48) POLBTDP1ALDH1A1TSHRCES1
SCHEMBL22570568 0.67 MCL1 (0.52) POLBTDP1ALDH1A1TSHRCES1
SCHEMBL7850492 0.67 KMO (0.48) POLBTDP1ALDH1A1TSHRCES1

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 4511/4885ALDH1A1 734/4885

“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.