SCHEMBL24055307

SCHEMBL24055307

C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC21CC1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.90
RXRB P28702 7/20 0.90
RXRG P48443 7/20 0.90
RARB P10826 6/20 0.90
RARG P13631 5/20 0.90
RARA P10276 3/20 0.90
MEN1 O00255 1/20 0.90
CYP26A1 O43174 1/20 0.90
ABCB11 O95342 1/20 0.90
ESR1 P03372 1/20 0.90
PGR P06401 1/20 0.90
HTR1A P08908 1/20 0.90
ADRA2A P08913 1/20 0.90
ADORA3 P0DMS8 1/20 0.90
CHRM1 P11229 1/20 0.90
DRD1 P21728 1/20 0.90
TBXA2R P21731 1/20 0.90
SLC6A2 P23975 1/20 0.90
ADRA1A P35348 1/20 0.90
OPRM1 P35372 1/20 0.90

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
SCHEMBL24055118 1.00 RXRA (0.90) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL9025 0.95 RXRA (1.00) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL29412584 0.95 RXRA (1.00) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL5322954 0.95 RXRA (1.00) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL4432606 0.93 RXRA (0.97) RXRARXRBRXRGRARBRARG
SCHEMBL24055115 0.93 RXRA (0.76) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL28672173 0.92 RXRA (0.94) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL2571575 0.88 RXRA (0.87) RXRARXRBRXRGRARBRARG
SCHEMBL24055117 0.87 RXRA (0.90) RXRARXRBRXRGRARBRARG
SCHEMBL24055020 0.87 RXRA (0.90) RXRARXRBRXRGRARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218629-B Bexarotene derivatives and their use in the treatment of cancer DJ疗法有限责任公司 2024-08-09 CN disclosed
US-20210363093-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DAWN SCIENTIFIC PHARMACEUTICALS, LLC 2021-11-25 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-20210363093-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER ENPP2, XPA, CCR8 RXRA 4/4885RXRB 13/4885RXRG 5/4885

“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.