SCHEMBL83689

SCHEMBL83689

CC(C)(C)C(=O)Nc1ccccc1C1(O)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
CETP P11597 1/20 0.47
TSHR P16473 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX12 P18054 2/20 0.37
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 2/20 0.36
EPHB3 P54753 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35

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
SCHEMBL11152326 0.82 SMN1; SMN2 (0.53) SIGMAR1RAB9AALDH1A1EPHB3CYP1A2
SCHEMBL83668 0.81 CETP (0.44) CETPTSHRRAB9AMEN1KMT2A
SCHEMBL2909371 0.79 CETP (0.48) CETPTSHRRAB9AMEN1KMT2A
SCHEMBL5661892 0.74 CETP (0.49) CETPTSHRRAB9AMEN1KMT2A
SCHEMBL5706504 0.73 CETP (0.71) CETPTSHRRAB9AMEN1KMT2A
SCHEMBL83107 0.70 CETP (0.48) CETPTSHRRAB9AMEN1KMT2A
SCHEMBL8059190 0.70 ALDH1A1 (0.45) SIGMAR1TSHRRAB9AKMT2ALMNA
SCHEMBL1660350 0.69 SIGMAR1 (0.62) SIGMAR1TSHRRAB9AMEN1KMT2A
SCHEMBL2087952 0.69 CETP (0.67) CETPTSHRRAB9AMEN1KMT2A
SCHEMBL27622163 0.69 LMNA (0.41) LMNAL3MBTL1PDK2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-20130310399-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-21 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
US-20120270885-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-10-25 US disclosed
US-20120270885-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-10-25 US disclosed
US-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 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 (3 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-20120270885-A1 CHEMICAL COMPOUNDS H1-0, CHRM1, MRM1 SIGMAR1 443/4885CETP 4192/4885TSHR 2376/4885
US-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 SIGMAR1 511/4885CETP 4119/4885TSHR 2317/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 SIGMAR1 346/4885CETP 4092/4885TSHR 2605/4885

“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.