SCHEMBL557261

SCHEMBL557261

Cc1cc(O)ccc1C1C(=O)CCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.38
ESR2 Q92731 6/20 0.38
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31
GPER1 Q99527 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
TRPV1 Q8NER1 2/20 0.31
CA12 O43570 2/20 0.30
CA9 Q16790 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
EPHX2 P34913 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL20574925 0.73 KCNJ1 (0.39)
SCHEMBL556469 0.70 ESR1 (0.37) ESR1ESR2ALDH1A1HPGDDRD1
SCHEMBL4032578 0.69 ESR1 (0.51) ESR1ESR2CA12CA9CA1
SCHEMBL19331934 0.69 LMNA (0.32) LMNA
SCHEMBL104499 0.69 LMNA (0.42) LMNAGAAHPGD
SCHEMBL23549784 0.68 LMNA (0.31) LMNA
SCHEMBL757856 0.68 LMNA (0.31) LMNA
SCHEMBL19716095 0.68 LMNA (0.31) LMNA
SCHEMBL17868701 0.66
SCHEMBL20300222 0.65 ESR2 (0.41) ESR1ESR2DRD2DRD1

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 ESR1 3323/4885ESR2 1620/4885HSP90AA1 1606/4885

“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.