SCHEMBL22644002

SCHEMBL22644002

C=CCCCCNC(CCC)CCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.44
SIGMAR1 Q99720 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
ALOX15 P16050 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
SCHEMBL20206065 0.94 TSHR (0.46) TSHRALDH1A1SIGMAR1TAS1R3TAS1R1
SCHEMBL25340146 0.87 TSHR (0.57) TSHRALDH1A1KDM4EPLA2G2C
SCHEMBL19454696 0.86 TSHR (0.43) TSHRALDH1A1SIGMAR1TAS1R3TAS1R1
SCHEMBL3116791 0.81 TSHR (0.48) TSHRALDH1A1TAS1R3TAS1R1LMNA
SCHEMBL9211399 0.80 TSHR (0.53) TSHRALDH1A1KDM4ELMNAPLA2G2C
SCHEMBL3123165 0.80 TSHR (0.44) TSHRALDH1A1TAS1R3TAS1R1PLA2G2C
SCHEMBL11897547 0.78 SIGMAR1 (0.46) TSHRALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL11684924 0.78 TSHR (0.50) TSHRALDH1A1MEN1KMT2APLA2G2C
SCHEMBL19302134 0.78 TSHR (0.39) TSHRALDH1A1SIGMAR1TAS1R3TAS1R1
SCHEMBL14398801 0.77 TSHR (0.44) TSHRALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2023-05-25 US disclosed
US-20200352966-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2020-11-12 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 (2 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-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885ALDH1A1 1078/4885SIGMAR1 4800/4885
US-20200352966-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885ALDH1A1 1078/4885SIGMAR1 4800/4885

“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.