SCHEMBL4395908

SCHEMBL4395908

CC(CO)NC(C)C(=O)c1cccc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.46
TERT O14746 2/20 0.46
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
NAAA Q02083 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MPO P05164 1/20 0.39
HIF1A Q16665 1/20 0.39
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37

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
SCHEMBL4401492 0.77 NPC1 (0.48) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL15981547 0.75 TERT (0.46) ALOX5TERTKDM4EALDH1A1LMNA
SCHEMBL8980562 0.74 LMNA (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL18332893 0.73 KDM4E (0.55) ALOX5TERTKDM4EALDH1A1LMNA
SCHEMBL7665706 0.73 KDM4E (0.55) ALOX5TERTKDM4EALDH1A1LMNA
SCHEMBL4393402 0.72 PGR (0.46) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL9132045 0.72 ALOX5 (0.66) ALOX5TERTKDM4ETSHRNAAA
SCHEMBL4879758 0.72 TERT (0.43) ALOX5TERTKDM4EALDH1A1LMNA
SCHEMBL20026813 0.71 TERT (0.44) ALOX5TERTKDM4ELMNAHSD17B10
SCHEMBL3365582 0.71 TERT (0.59) ALOX5TERTKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2012-08-30 US disclosed
US-8188150-B2 Use of beta-aminoalcohols in the treatment of inflammatory disorders and pain BIOCOPEA LIMITED (GB) 2012-05-29 US disclosed
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2009-12-10 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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, HRH2 ALOX5 236/4885TERT 3598/4885KDM4E 3730/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 ALOX5 415/4885TERT 3577/4885KDM4E 4330/4885

“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.