SCHEMBL1950555

SCHEMBL1950555

CN1CCc2cc(N(C(=O)O)C(C)(C)C)ccc2C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
ESR1 P03372 9/20 0.33
ESR2 Q92731 1/20 0.32
SRD5A2 P31213 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL1949987 0.88 ESR1 (0.32) RXRARXRBRXRGESR1
SCHEMBL1951116 0.86 ESR1 (0.32) RXRARXRBRXRGESR1
SCHEMBL1950275 0.85 KDM4E (0.32) ESR1
SCHEMBL1953209 0.84 POLB (0.31)
SCHEMBL1951651 0.81
SCHEMBL1952631 0.80 ALDH1A1 (0.40) RXRARXRBRXRG
SCHEMBL1029293 0.75 RXRA (0.51) RXRARXRBRXRG
SCHEMBL20951244 0.73 TRPM8 (0.38) RXRARXRBRXRG
SCHEMBL3466379 0.73 RAB9A (0.43)
SCHEMBL25324704 0.71 DRD2 (0.58) ESR1ESR2DRD2DRD1DRD5

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-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 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-20110135601-A1 BICYCLOANILINE DERIVATIVE WEE1, WEE2, CCNK RXRA 4438/4885RXRB 4454/4885RXRG 4534/4885

“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.