SCHEMBL22358671

SCHEMBL22358671

CCCCCC(CCCCC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
EPHX1 P07099 2/20 0.46
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
HTR2C P28335 1/20 0.41
MC4R P32245 1/20 0.41
CES2 O00748 1/20 0.41
ACP3 P15309 1/20 0.41
TLR8 Q9NR97 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL22664842 0.98 PNMT (0.46) PNMTEPHX1SPHK2SPHK1TAS1R3
SCHEMBL22621380 0.98 PNMT (0.46) PNMTEPHX1SPHK2SPHK1TAS1R3
SCHEMBL21125493 0.97 EPHX1 (0.47) PNMTEPHX1SPHK2SPHK1TAS1R3
SCHEMBL18885344 0.97 EPHX1 (0.47) PNMTEPHX1SPHK2SPHK1TAS1R3
SCHEMBL21129503 0.95 PNMT (0.44) PNMTEPHX1SPHK2SPHK1TAS1R3
SCHEMBL18885429 0.92 PNMT (0.44) PNMTEPHX1SPHK2SPHK1TAS1R3
SCHEMBL21868754 0.92 PNMT (0.44) PNMTEPHX1SPHK2SPHK1TAS1R3
SCHEMBL18885350 0.92 EPHX1 (0.48) PNMTEPHX1TAS1R3TAS1R1IDO1
SCHEMBL21124992 0.89 EPHX1 (0.48) PNMTEPHX1TAS1R3TAS1R1IDO1
SCHEMBL19541914 0.88 PNMT (0.51) PNMTEPHX1TAS1R3TAS1R1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS MIDWESTERN UNIVERSITY 2021-04-01 US disclosed
US-10961211-B2 Isotopically-stabilized tetronimide compounds MIDWESTERN UNIVERSITY (US) 2021-03-30 US disclosed
US-20200262804-A1 Isotopically-Stabilized Tetronimide Compounds MIDWESTERN UNIVERSITY 2020-08-20 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-10961211-B2 Isotopically-stabilized tetronimide compounds ASPH, BACE1, DNPEP PNMT 3047/4885EPHX1 1434/4885SPHK2 3641/4885
US-20200262804-A1 Isotopically-Stabilized Tetronimide Compounds ASPH, BACE1, DNPEP PNMT 3047/4885EPHX1 1434/4885SPHK2 3641/4885
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS ASPH, BACE1, DNPEP PNMT 3047/4885EPHX1 1434/4885SPHK2 3641/4885

“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.