SCHEMBL12379280

SCHEMBL12379280

CN[C@@H](C(=O)OC)c1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.56
ACACA Q13085 1/20 0.56
SRD5A2 P31213 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LTA4H P09960 4/20 0.46
ATM Q13315 1/20 0.45
CNR2 P34972 1/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR88 Q9GZN0 1/20 0.42
MAPK1 P28482 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 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
SCHEMBL12379281 0.89 ACACB (0.59) ACACBACACASRD5A2LTA4HATM
SCHEMBL2295053 0.83 CTSS (0.52) ACACBACACASRD5A2MEN1KMT2A
SCHEMBL17483401 0.80 NPC1 (0.48) ACACBMEN1KMT2ALTA4HATM
SCHEMBL5225218 0.80 KMT2A (0.62) MEN1KMT2AATMGPR88
SCHEMBL1712333 0.80 KMT2A (0.62) MEN1KMT2AATMGPR88
SCHEMBL8273800 0.80 KMT2A (0.62) MEN1KMT2AATMGPR88
Hydrochloric Acid SCHEMBL5223983 0.78 KMT2A (0.60) MEN1KMT2A
SCHEMBL9082510 0.78 KMT2A (0.68) MEN1KMT2AATMPPARGPPARA
SCHEMBL20240307 0.78 LTA4H (0.53) ACACBACACASRD5A2LTA4HPPARG
SCHEMBL17727241 0.77 ROCK2 (0.48) ACACBMEN1KMT2AATMCNR2

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-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 US 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 ACACB 1829/4885ACACA 1249/4885SRD5A2 1780/4885

“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.