SCHEMBL2295708

SCHEMBL2295708

CC(C)(C)OC(=O)N1[C@@H](Cc2ccc(Oc3ccc(Cc4ccccc4)cc3)cc2)COC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
SPHK1 Q9NYA1 1/20 0.38
SRD5A2 P31213 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
KLK7 P49862 2/20 0.36
ABHD6 Q9BV23 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
CYP3A4 P08684 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
ABCB1 P08183 1/20 0.35
BRD4 O60885 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2295715 1.00 NR1H2 (0.39) NR1H2NR1H3SPHK1SRD5A2ACACB
SCHEMBL6487557 0.95 SPHK1 (0.39) NR1H2NR1H3SPHK1KLK7ABHD6
SCHEMBL6487562 0.95 SPHK1 (0.39) NR1H2NR1H3SPHK1KLK7ABHD6
SCHEMBL2288435 0.95 SPHK1 (0.39) NR1H2NR1H3SPHK1KLK7ABHD6
SCHEMBL2291830 0.89 SMN1; SMN2 (0.40) SPHK1SMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL6486940 0.88 BRD4 (0.46) SPHK1SMN1; SMN2ALDH1A1BRD4KMT2A
SCHEMBL6486930 0.88 BRD4 (0.46) SPHK1SMN1; SMN2ALDH1A1BRD4KMT2A
SCHEMBL6481265 0.84 CARM1 (0.43) NR1H2NR1H3SPHK1SMN1; SMN2ALDH1A1
SCHEMBL6481261 0.84 CARM1 (0.43) NR1H2NR1H3SPHK1SMN1; SMN2ALDH1A1
SCHEMBL6488889 0.84 SPHK1 (0.39) NR1H2NR1H3SPHK1KLK7CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 US disclosed
EP-2066800-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2009-06-10 EP disclosed
WO-2008019306-A2 ARYL AMINO ACID DERIVATIVES AS INHIBITORS OF LTA4H (LEUKOTRIENE A4 HYDROLASE) FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
US-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 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-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION LTA4H, LTB4R2, LTB4R NR1H2 342/4885NR1H3 299/4885SPHK1 2199/4885

“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.