SCHEMBL5385111

SCHEMBL5385111

C[C@H](Oc1ccc(Oc2ccccc2)cc1)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.48
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
TSHR P16473 1/20 0.48
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
MAOA P21397 1/20 0.43
SRD5A2 P31213 1/20 0.43
TARS1 P26639 1/20 0.43
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
NPY5R Q15761 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 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
SCHEMBL14366360 1.00 LTA4H (0.48) LTA4HNR1H2BAXTSHRPPARG
SCHEMBL1495894 0.92 LMNA (0.48) LTA4HTSHRALDH1A1HPGDMAOA
SCHEMBL8823940 0.81 TARS1 (0.48) LTA4HNR1H2BAXTSHRPPARG
Diphenylether SCHEMBL11134302 0.80 LTA4H (0.67) LTA4HNR1H2BAXTSHRCA1
Diphenylether SCHEMBL29076650 0.80 LTA4H (0.67) LTA4HNR1H2BAXTSHRCA1
SCHEMBL25325632 0.79 LMNA (0.48) LTA4HTSHRALDH1A1HPGDMAOA
SCHEMBL9658587 0.79 LTA4H (0.57) LTA4HNR1H2BAXTSHRPPARG
SCHEMBL1453272 0.78 CA4 (0.48) LTA4HTSHRALDH1A1HPGDMAOA
SCHEMBL11210416 0.77 LMNA (0.47) ALDH1A1HPGDMAOALMNACYP1A2
SCHEMBL22687549 0.77 LTA4H (0.55) LTA4HNR1H2BAXTSHRCA1

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-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA LTA4H 2072/4885NR1H2 9/4885BAX 3022/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA LTA4H 2124/4885NR1H2 7/4885BAX 2602/4885

“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.