SCHEMBL16468552

SCHEMBL16468552

COc1ccc(C(O)C=C[C@H](/C=C/c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.51
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
NFE2L2 Q16236 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1B1 Q16678 2/20 0.44
PPARG P37231 1/20 0.44
HSPD1 P10809 1/20 0.44
TNFRSF1A P19438 1/20 0.44
MAOB P27338 1/20 0.44
HSPE1 P61604 1/20 0.44
ACP3 P15309 1/20 0.44
RELA Q04206 4/20 0.43
EGFR P00533 1/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL4632481 0.90 TRPA1 (0.59) TRPA1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL4632483 0.90 TRPA1 (0.59) TRPA1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL4631951 0.86 TRPA1 (0.59) TRPA1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL4631947 0.86 TRPA1 (0.59) TRPA1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL14839505 0.81 ALDH1A1 (0.60) TRPA1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL1792972 0.77 MAPT (0.48) TRPA1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL14839484 0.76 ALDH1A1 (0.54) TRPA1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL14839479 0.76 ALDH1A1 (0.54) TRPA1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL477645 0.76 CYP1A2 (0.57) TRPA1MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL477469 0.76 CYP1A2 (0.57) TRPA1MAPTALDH1A1CYP3A4CYP2C9

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-20150051295-A1 USE OF PROPANOL AND PROPENOL DERIVATIVES AS ANTIOXIDANTS MERCK PATENT GMBH (DE) 2015-02-19 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-20150051295-A1 USE OF PROPANOL AND PROPENOL DERIVATIVES AS ANTIOXIDANTS GPX4, EBP, CAT TRPA1 2582/4885MAPT 1598/4885ALDH1A1 134/4885

“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.