SCHEMBL7253258

SCHEMBL7253258

CC(C)(C)c1c(O)cccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.55
TRIM24 O15164 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
CA2 P00918 2/20 0.52
CA1 P00915 1/20 0.52
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
CDK4 P11802 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
SCHEMBL1552308 0.82 ERN1 (0.40) ERN1TRIM24TRIM33CA2CA1
SCHEMBL11437773 0.80 ALDH1A1 (0.39) ERN1TRIM24TRIM33CA2CA1
SCHEMBL419708 0.78 ALDH1A1 (0.52) CA2CA1TDP1LMNATHRB
SCHEMBL19543116 0.78 ALDH1A1 (0.56) ERN1TRIM24TRIM33CA2CA1
SCHEMBL17261584 0.78 TDP1 (0.42) ERN1TRIM24TRIM33CA2CA1
SCHEMBL3397197 0.77 NFKB1 (0.61) CA2CA1LMNAKMT2AHDAC4
SCHEMBL30819432 0.76 TDP1 (0.41) ERN1TRIM24TRIM33CA2CA1
SCHEMBL13624578 0.76 MEN1 (0.41) ERN1TRIM24TRIM33CA2CA1
SCHEMBL25532595 0.76 ERN1 (0.52) ERN1TRIM24TRIM33CA2CA1
SCHEMBL25532586 0.76 TDP1 (0.45) ERN1TRIM24TRIM33CA2CA1

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
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 US claimed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 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-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments TYR, HRH1, HRH2 ERN1 4830/4885TRIM24 3252/4885TRIM33 2340/4885
US-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 ERN1 3856/4885TRIM24 3540/4885TRIM33 1778/4885

“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.