SCHEMBL4450645

SCHEMBL4450645

C=C(c1ccc(C(=O)O)c(C)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.80
RXRB P28702 9/20 0.80
RXRG P48443 9/20 0.80
RARB P10826 6/20 0.80
RARG P13631 5/20 0.80
RARA P10276 3/20 0.80
MEN1 O00255 1/20 0.80
CYP26A1 O43174 1/20 0.80
ABCB11 O95342 1/20 0.80
ESR1 P03372 1/20 0.80
PGR P06401 1/20 0.80
HTR1A P08908 1/20 0.80
ADRA2A P08913 1/20 0.80
ADORA3 P0DMS8 1/20 0.80
CHRM1 P11229 1/20 0.80
DRD1 P21728 1/20 0.80
TBXA2R P21731 1/20 0.80
SLC6A2 P23975 1/20 0.80
ADRA1A P35348 1/20 0.80
OPRM1 P35372 1/20 0.80

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
SCHEMBL16926946 0.93 RXRA (0.78) RXRARXRBRXRGRARBRARG
SCHEMBL20398881 0.91 RXRA (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL17225707 0.90 RXRA (0.72) RXRARXRBRXRGRARBRARG
SCHEMBL14816550 0.90 RXRA (0.72) RXRARXRBRXRGRARBRARG
SCHEMBL29354225 0.90 RXRA (0.72) RXRARXRBRXRGRARBRARG
SCHEMBL17225709 0.90 RXRA (0.72) RXRARXRBRXRGRARBRARG
SCHEMBL17225708 0.90 RXRA (0.72) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL5322954 0.89 RXRA (1.00) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL29412584 0.89 RXRA (1.00) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL9025 0.89 RXRA (1.00) 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
US-20090203720-A1 Methods for inhibiting cell growth ALLERGAN, INC. 2009-08-13 US disclosed
WO-2005046726-A2 COMBINATIONS FOR INHIBITING CELL GROWTH WHICH CONTAINS AN INHIBITOR OF HUMAN CK1 ALPHA ACTIVITY AND A RXR AGONIST ALLERGAN, INC. (US) 2005-05-26 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-20090203720-A1 Methods for inhibiting cell growth CSNK1G1, CSNK1A1, CSNK2A1 RXRA 23/4885RXRB 29/4885RXRG 27/4885

“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.