SCHEMBL2196986

SCHEMBL2196986

CC(C)C(=O)c1cc2c(cc1O)C(C)(C)CCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.55
RARB P10826 5/20 0.52
RARG P13631 5/20 0.47
RARA P10276 4/20 0.47
RXRB P28702 4/20 0.42
RXRG P48443 3/20 0.42
CYP26A1 O43174 2/20 0.40
CYP26B1 Q9NR63 2/20 0.40
MEN1 O00255 1/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL726366 0.80 RXRA (0.59) RXRARARBRARGRARARXRB
SCHEMBL7149480 0.80 RXRA (0.69) RXRARARBRARGRARARXRB
SCHEMBL30701833 0.80 RXRA (0.69) RXRARARBRARGRARARXRB
SCHEMBL2196140 0.76 RXRA (0.55) RXRARARBRARGRARARXRB
SCHEMBL2191766 0.76 RXRA (0.55) RXRARARBRARGRARARXRB
SCHEMBL15347776 0.74 RXRA (0.50) RXRARARBRARGRARARXRB
SCHEMBL12418592 0.73 RXRA (0.51) RXRARARBRARGRARARXRB
SCHEMBL2194261 0.72 RXRA (0.59) RXRARARBRARGRARARXRB
SCHEMBL2193183 0.72 RXRA (0.81) RXRARARBRARGRARARXRB
SCHEMBL23463619 0.71 RXRA (0.55) RXRARARBRARGRARARXRB

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 5 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
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

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 2945/4885RARG 2656/4885

“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.