SCHEMBL555958

SCHEMBL555958

COCCOc1ccc(Br)c(C(CC(=O)O)C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
FFAR1 O14842 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CHEK2 O96017 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL533935 0.79 PPARG (0.41) PPARGPPARA
SCHEMBL555956 0.74 PPARG (0.37) KDM4ETDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL19465522 0.72 PPARA (0.40) KDM4EPOLBALDH1A1PPARA
SCHEMBL12971378 0.68 HDAC6 (0.38) KDM4EL3MBTL1TDP1POLB
SCHEMBL4666766 0.68 TAS1R3 (0.41) L3MBTL1LMNAMAPK1FFAR1PPARD
SCHEMBL534650 0.67 SMN1; SMN2 (0.51) KDM4EL3MBTL1TDP1POLBLMNA
SCHEMBL533933 0.67 PPARG (0.59) PPARGPPARDPPARA
SCHEMBL555957 0.67 MTNR1A (0.38) FFAR1SMN1; SMN2CHEK2PPARG
SCHEMBL21718856 0.66 FBP1 (0.36) KDM4ELMNAMAPK1ALDH1A1CHEK2
SCHEMBL8257155 0.66 SLC6A4 (0.40) KDM4ESMN1; SMN2CHEK2MEN1KMT2A

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 KDM4E 2653/4885L3MBTL1 4282/4885TDP1 3892/4885

“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.