SCHEMBL6779927

SCHEMBL6779927

CCCCCN1CC=CC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.50
FAAH O00519 6/20 0.50
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
GBA1 P04062 2/20 0.39
ALDH1A1 P00352 3/20 0.36
HSP90AA1 P07900 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
G6PD P11413 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KAT2B Q92831 1/20 0.35
HTT P42858 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
SCHEMBL2905468 0.98 MGLL (0.53) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL9318984 0.86 MGLL (0.49) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL7184113 0.81 MGLL (0.43) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL22927439 0.81 ALDH1A1 (0.38) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL23484428 0.78 PTGS1 (0.51) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL5858611 0.78 MGLL (0.47) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL179104 0.77
SCHEMBL18274680 0.77 MGLL (0.38) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL18083882 0.77 MGLL (0.36) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL16371956 0.76 MGLL (0.50) MGLLFAAHPTGS1PTGS2ALDH1A1

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-9981940-B2 Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-29 US disclosed
US-20160145235-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-26 US disclosed
WO-2015004610-A1 1,5-DIHYDROPYRROL-2-ONE DERIVATIVES AS INHIBITORS OF P53-MDM2/MDM4 PROTEIN-PROTEIN INTERACTION ADAMED SP. Z O.O. (PL) 2015-01-15 WO disclosed
US-6727275-B2 ANTIINFLAMMATORY, ANTIALLERGEN, AND ANTIASTHMATIC AGENTS UCB, S.A./N.V. (BE) 2004-04-27 US disclosed
WO-2003099801-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-12-04 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-20160145235-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES ARSA, SQOR, AHR MGLL 640/4885FAAH 467/4885PTGS1 2264/4885

“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.