SCHEMBL3879342

SCHEMBL3879342

Cc1c(O)cccc1NC(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4C Q9H3R0 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ASPH Q12797 1/20 0.41
RIOX2 Q8IUF8 1/20 0.41
KDM8 Q8N371 1/20 0.41
CXCR2 P25025 2/20 0.40
CXCR1 P25024 1/20 0.40
GAA P10253 2/20 0.40
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
EGFR P00533 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
SCHEMBL14075535 0.81 MAPT (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL14075538 0.81 MAPT (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL18027646 0.79 MEN1 (0.53) KDM4EALDH1A1LMNAKDM4CMEN1
SCHEMBL3879398 0.78 TRPA1 (0.45) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3879337 0.76 CXCR2 (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6542646 0.76 MEN1 (0.47) KDM4EALDH1A1LMNAKDM4CMAPT
SCHEMBL19915078 0.76 MEN1 (0.47) KDM4EALDH1A1LMNAKDM4CMAPT
SCHEMBL30721686 0.76 MEN1 (0.47) KDM4EALDH1A1LMNAKDM4CMAPT
SCHEMBL10873030 0.75 KCNMA1 (0.50) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3879540 0.74 TRPA1 (0.41) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589127-B2 Aminoalkylphenols, methods of using and making the same MERCK & CO., INC. (US) 2009-09-15 US disclosed
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME LLC 2005-10-20 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-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP KDM4E 443/4885ALDH1A1 1120/4885LMNA 1464/4885

“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.