SCHEMBL22147343

SCHEMBL22147343

CC(C)(C)CCCCOc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.67
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
LTA4H P09960 2/20 0.53
HTR1B P28222 2/20 0.52
PPARA Q07869 1/20 0.51
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
HTR1D P28221 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL10202896 0.94 KCNA3 (0.62) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1754085 0.87 KCNA3 (0.58) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL28860796 0.84 KCNA3 (0.61) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL9130133 0.84 KCNA3 (0.61) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL13895037 0.82 KCNA3 (0.59) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1490164 0.82 KCNA3 (1.00) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL22275949 0.80 HRH3 (0.54) ALDH1A1
SCHEMBL12933274 0.80 NR5A1 (0.61) LTA4HHTR1BDRD2DRD4DRD3
SCHEMBL23577314 0.80 LMNA (0.55) HDAC6LTA4HPPARA
SCHEMBL9416411 0.80 PPARA (0.79) KCNA3PPARA

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-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES SEATTLE GENETICS, INC. (US) 2020-06-25 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-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES NAMPT, NNMT, NADK KCNA3 4564/4885HDAC3 175/4885HDAC4 448/4885

“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.