SCHEMBL19506732

SCHEMBL19506732

CC(C)CC1CN(C)C(C(C)C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ABCB11 O95342 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN1A P35498 1/20 0.32
HTR2B P41595 1/20 0.32
MTOR P42345 1/20 0.32
SLC18A2 Q05940 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
TP53 P04637 1/20 0.30
PRKCD Q05655 4/20 0.30

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
SCHEMBL2691336 0.68
SCHEMBL20022656 0.67 MME (0.36) MMEKDM4EHSD17B10ABCB11ALDH1A1
SCHEMBL6325480 0.66 PIK3CD (0.38) MMEPIK3CD
SCHEMBL2690043 0.63
SCHEMBL2684077 0.63 MME (0.36) MMEKDM4EHSD17B10ABCB11ALDH1A1
SCHEMBL16900024 0.62 MME (0.53) MMETSHRMAPK1
SCHEMBL12125490 0.62 PIK3CD (0.39) MMEKDM4EHSD17B10ABCB11ALDH1A1
SCHEMBL9252361 0.60 PIK3CD (0.38) MMEKDM4EHSD17B10ABCB11ALDH1A1
SCHEMBL14268186 0.60 MAPT (0.39) MMEKDM4EHSD17B10ABCB11ALDH1A1
SCHEMBL2683251 0.60 MME (0.33) MMEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305953-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-10-26 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-20170305953-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE CYP51A1, HSD17B7, CYP11B1 MME 1980/4885KDM4E 100/4885HSD17B10 172/4885

“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.