SCHEMBL3879337

SCHEMBL3879337

Cc1cccc(O)c1NC(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.46
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
TRPA1 O75762 2/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.43
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42
ELANE P08246 2/20 0.42
CTRB1 P17538 2/20 0.42
SCN8A Q9UQD0 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CXCR1 P25024 1/20 0.40
ROCK1 Q13464 2/20 0.40
AURKB Q96GD4 2/20 0.40
DCLK1 O15075 1/20 0.40

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
SCHEMBL6265543 0.87 ELANE (0.47) KDM4EALDH1A1LMNAASPHKDM8
SCHEMBL14451006 0.87 ELANE (0.47) KDM4EALDH1A1LMNAASPHKDM8
SCHEMBL3879390 0.78 TRPA1 (0.45) CXCR2ALDH1A1LMNAHSD17B10TRPA1
SCHEMBL6265941 0.77 ALDH1A1 (0.49) ALDH1A1LMNAHPGDATMMAPT
SCHEMBL7206671 0.76 LTC4S (0.44) LMNAAURKBGAA
SCHEMBL3879342 0.76 KDM4E (0.45) CXCR2KDM4EALDH1A1LMNAHPGD
SCHEMBL28647773 0.74 ALDH1A1 (0.44) CXCR2KDM4EALDH1A1LMNAHSD17B10
SCHEMBL3879535 0.74 TRPA1 (0.41) CXCR2ALDH1A1LMNAHSD17B10TRPA1
SCHEMBL12269615 0.73 NPSR1 (0.44) KDM4EALDH1A1LMNAASPHKDM8
SCHEMBL6542646 0.72 MEN1 (0.47) KDM4EALDH1A1LMNAMAPTASPH

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 CXCR2 4729/4885KDM4E 443/4885ALDH1A1 1120/4885

“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.