SCHEMBL20549385

SCHEMBL20549385

CC1=C(OC(=O)N(C)C)CCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
NCEH1 Q6PIU2 2/20 0.33
ACHE P22303 3/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.30
TSHR P16473 1/20 0.30
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL9940386 0.71 RAB9A (0.35) RAB9ANCEH1ACHE
SCHEMBL12871708 0.70 ELANE (0.36) KDM4EL3MBTL1TSHRGAAALDH1A1
SCHEMBL27536958 0.67 LMNA (0.34) GAA
SCHEMBL4017179 0.66 ELANE (0.40) KDM4EL3MBTL1GAAALDH1A1KMT2A
SCHEMBL14637386 0.64 MAPT (0.43) RAB9ANCEH1ACHEKDM4E
SCHEMBL4954564 0.63 GAA (0.35) ACHEKDM4EGAAALDH1A1KMT2A
SCHEMBL4015672 0.62 ELANE (0.40) KDM4EL3MBTL1ALDH1A1POLBSMN1; SMN2
SCHEMBL28969722 0.61 ELANE (0.33) KDM4ETSHRALDH1A1NPSR1
SCHEMBL3270556 0.61 ALDH1A1 (0.39) KDM4EGAAALDH1A1KMT2ASMN1; SMN2
Dimethylcarbate SCHEMBL11119619 0.61 SMN1; SMN2 (0.34) RAB9AKDM4EL3MBTL1TSHRALDH1A1

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-20180319789-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-11-08 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-20180319789-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE RAB9A 1332/4885NCEH1 1734/4885ACHE 3/4885

“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.