SCHEMBL4124237

SCHEMBL4124237

CC(C)c1ccc(C2CCCCC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TLR4 O00206 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
KMT2A Q03164 2/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38

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
SCHEMBL8381617 0.80 DDB1 (0.50) TLR4KMT2ACA1CA2CA4
SCHEMBL15874655 0.80 KDM4E (0.42) HPGDALDH1A1TLR4SMN1; SMN2KMT2A
SCHEMBL1616775 0.80 KDM4E (0.42) HPGDALDH1A1TLR4SMN1; SMN2KMT2A
SCHEMBL1138156 0.80 NPC1 (0.45) ALDH1A1LMNATLR4SMN1; SMN2KMT2A
SCHEMBL11840693 0.79 KMT2A (0.42) HPGDTLR4SMN1; SMN2KMT2ANPC1
SCHEMBL11837854 0.78 CA1 (0.41) HPGDALDH1A1LMNATLR4SMN1; SMN2
SCHEMBL7542404 0.78 PTGS1 (0.60) LMNAPTGS1PTGS2KMT2AOPRK1
SCHEMBL28414141 0.77 ALDH1A1 (0.49) HPGDALDH1A1LMNATLR4SMN1; SMN2
SCHEMBL19993834 0.77 LMNA (0.42) LMNATLR4KMT2ANPC1CA1
SCHEMBL513149 0.77 LMNA (0.42) TDP1ALDH1A1LMNATLR4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233599-B Aromatic ring ortho-iodoalkanone and synthetic method and application thereof 兰州大学 2021-07-20 CN disclosed
CN-111233599-A Aromatic ring ortho-iodoalkanone and synthetic method and application thereof 兰州大学 2020-06-05 CN disclosed
US-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 US disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 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-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP HPGD 380/4885TDP1 239/4885ALDH1A1 1436/4885

“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.