SCHEMBL6449415

SCHEMBL6449415

Cc1cc2c(cc1Br)C(O)(c1ccccc1)CCC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.41
RXRB P28702 7/20 0.40
RXRG P48443 7/20 0.40
RARA P10276 4/20 0.40
RARB P10826 4/20 0.40
RARG P13631 4/20 0.40
MEN1 O00255 1/20 0.38
CYP26A1 O43174 1/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL19343350 0.79 GABRA1 (0.43) RXRARXRBRXRGRARARARB
SCHEMBL3170254 0.79 RXRA (0.44) RXRARXRBRXRGRARARARB
SCHEMBL6234031 0.72 RXRA (0.37) RXRARXRBRXRGRARARARB
SCHEMBL6449453 0.72 RXRA (0.38) RXRARXRBRXRGRARARARB
SCHEMBL8771841 0.71 RARB (0.58) RXRARXRBRXRGRARARARB
SCHEMBL7762990 0.69 RXRA (0.68) RXRARXRBRXRGRARARARB
SCHEMBL21238596 0.69 BCHE (0.37) RXRARXRBRXRGRARARARB
SCHEMBL6678059 0.68 RXRA (0.49) RXRARXRBRXRGRARARARB
SCHEMBL27328115 0.67 RARB (0.47) RXRARXRBRXRGRARARARB
SCHEMBL7622765 0.66 RXRA (0.48) RXRARXRBRXRGRARARARB

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-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases INCYTE CORPORATION 2005-02-17 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-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases HSD17B10, IDH2, INSR RXRA 1054/4885RXRB 1191/4885RXRG 1487/4885

“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.