SCHEMBL13168673

SCHEMBL13168673

C=C(C)Oc1cc(OC)ccc1C=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
TRIM24 O15164 1/20 0.57
TYR P14679 1/20 0.57
TRIM33 Q9UPN9 1/20 0.57
ERN1 O75460 4/20 0.53
CYP1A2 P05177 6/20 0.49
CYP1A1 P04798 4/20 0.49
CYP1B1 Q16678 4/20 0.49
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 2/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 1/20 0.46
NFE2L2 Q16236 1/20 0.44
TNFRSF1A P19438 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL9055047 0.85 ALDH1A1 (0.71) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL16111393 0.83 ALDH1A1 (0.73) ALDH1A1TRIM24TYRTRIM33ERN1
Formaldehyde SCHEMBL28854145 0.82 ALDH1A1 (0.92) ALDH1A1TRIM24TYRTRIM33ERN1
Ethylene SCHEMBL4914414 0.82 ALDH1A1 (0.92) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL96291 0.82 ALDH1A1 (1.00) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL16046208 0.81 ALDH1A1 (0.71) ALDH1A1TRIM24TYRTRIM33ERN1
Hydrochloric Acid SCHEMBL9456784 0.80 ALDH1A1 (0.96) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL31432460 0.78 ALDH1A1 (0.71) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL6131805 0.78 ALDH1A1 (0.65) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL9055043 0.78 ALDH1A1 (0.65) ALDH1A1TRIM24TYRTRIM33ERN1

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-20100247439-A1 DENDRITIC NANO-ANTIOXIDANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-30 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-20100247439-A1 DENDRITIC NANO-ANTIOXIDANTS GPX1, GPX4, LPO ALDH1A1 235/4885TRIM24 4576/4885TYR 34/4885

“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.