SCHEMBL3318005

SCHEMBL3318005

CCOC(=O)C1CCN(C(=O)C2CCCCC2(O)C(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46

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
SCHEMBL3314415 0.85 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRMAPTMEN1
SCHEMBL13417305 0.82 CCR1 (0.40) ALDH1A1MAPTKMT2A
SCHEMBL17296899 0.81 MEN1 (0.46) ALDH1A1GAASMN1; SMN2NPC1TSHR
SCHEMBL3317231 0.80 HDAC3 (0.44) ALDH1A1
SCHEMBL14041444 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3318341 0.76 POLB (0.40) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL3318444 0.75 ATM (0.37) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL3318441 0.75 ATM (0.37) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL6973124 0.75 GAA (0.73) ALDH1A1KDM4EGAASMN1; SMN2NPC1
SCHEMBL3315409 0.74 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2TSHRPKM

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 7 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
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

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 ALDH1A1 734/4885KDM4E 1162/4885GAA 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.