SCHEMBL12418596

SCHEMBL12418596

CC(=O)c1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.50
RARB P10826 7/20 0.50
RXRB P28702 7/20 0.50
RARG P13631 6/20 0.50
RXRG P48443 5/20 0.50
RARA P10276 4/20 0.50
MEN1 O00255 1/20 0.47
CYP26A1 O43174 1/20 0.47
ABCB11 O95342 1/20 0.47
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL3298635 0.88 RXRA (0.61) RXRARARBRXRBRARGRXRG
SCHEMBL726366 0.88 RXRA (0.59) RXRARARBRXRBRARGRXRG
SCHEMBL8065603 0.86 RXRA (0.60) RXRARARBRXRBRARGRXRG
SCHEMBL9859988 0.86 RXRA (0.60) RXRARARBRXRBRARGRXRG
SCHEMBL872423 0.85 RXRA (0.61) RXRARARBRXRBRARGRXRG
SCHEMBL12510001 0.83 RXRA (0.43) RXRARARBRXRBRARGRXRG
SCHEMBL8065980 0.83 RXRA (0.43) RXRARARBRXRBRARGRXRG
SCHEMBL4423837 0.83 RXRA (0.62) RXRARARBRXRBRARGRXRG
Acetic Acid SCHEMBL5879410 0.82 RXRA (0.62) RXRARARBRXRBRARGRXRG
SCHEMBL13668270 0.81 RXRA (0.36) RXRARARBRXRBRARGRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765719-B2 Therapeutic drug for adult T-cell leukemia KAGOSHIMA UNIVERSITY (JP) 2014-07-01 US disclosed
US-8765719-B2 Therapeutic drug for adult T-cell leukemia KAGOSHIMA UNIVERSITY (JP) 2014-07-01 US disclosed
EP-2345409-A1 THERAPEUTIC AGENT FOR ADULT T-CELL LEUKEMIA Kagoshima University (JP) 2011-07-20 EP disclosed
US-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA KAGOSHIMA UNIVERSITY (JP) 2011-07-14 US disclosed
US-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA KAGOSHIMA UNIVERSITY (JP) 2011-07-14 US disclosed
WO-2010032582-A1 THERAPEUTIC AGENT FOR ADULT T-CELL LEUKEMIA 国立大学法人鹿児島大学 (JP) 2010-03-25 WO 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-20110172185-A1 THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA CBR3, CD47, ATL3 RXRA 1135/4885RARB 2945/4885RXRB 1301/4885

“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.