SCHEMBL131535

SCHEMBL131535

CC(=O)Oc1ccc(C2COc3c(ccc(C)c3Br)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.42
ALOX15 P16050 1/20 0.42
KCNH2 Q12809 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CYP19A1 P11511 10/20 0.41
LMNA P02545 1/20 0.36
GLA P06280 2/20 0.36
TYR P14679 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 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
SCHEMBL154220 0.89 ALOX12 (0.42) ALOX12ALOX15KCNH2TRPV1CYP19A1
SCHEMBL12055312 0.88 ALOX12 (0.44) ALOX12ALOX15KCNH2TRPV1CYP19A1
SCHEMBL10077875 0.83 ALOX12 (0.43) ALOX12ALOX15KCNH2TRPV1CYP19A1
SCHEMBL242978 0.78 CYP19A1 (0.61) ALOX12ALOX15KCNH2TRPV1CYP19A1
SCHEMBL2604717 0.78 CYP19A1 (0.64) ALOX12ALOX15KCNH2TRPV1CYP19A1
SCHEMBL4432673 0.77 CYP19A1 (0.56) ALOX12ALOX15KCNH2TRPV1CYP19A1
SCHEMBL133522 0.75 LMNA (0.36) LMNAGLAKDM4ENPSR1ALDH1A1
SCHEMBL329883 0.74 ALOX12 (0.47) ALOX12ALOX15KCNH2TRPV1CYP19A1
SCHEMBL3956230 0.72 ALOX12 (0.46) ALOX12ALOX15KCNH2TRPV1CYP19A1
SCHEMBL3957591 0.70 ALOX12 (0.53) ALOX12ALOX15KCNH2TRPV1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059176-A1 ANTI-INFLAMMATORY MODALITIES MARSHALL EDWARDS, INC. (US) 2012-03-08 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-20120059176-A1 ANTI-INFLAMMATORY MODALITIES TNF, PTGES, NFKBIA ALOX12 61/4885ALOX15 72/4885KCNH2 4589/4885

“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.