SCHEMBL2686255

SCHEMBL2686255

CON=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 1.00
RXRG P48443 16/20 1.00
RXRB P28702 15/20 1.00
RARA P10276 2/20 0.66
RARB P10826 2/20 0.66
RARG P13631 2/20 0.66
MEN1 O00255 1/20 0.66
CYP26A1 O43174 1/20 0.66
ABCB11 O95342 1/20 0.66
ESR1 P03372 1/20 0.66
PGR P06401 1/20 0.66
HTR1A P08908 1/20 0.66
ADRA2A P08913 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
CHRM1 P11229 1/20 0.66
DRD1 P21728 1/20 0.66
TBXA2R P21731 1/20 0.66
SLC6A2 P23975 1/20 0.66
ADRA1A P35348 1/20 0.66
OPRM1 P35372 1/20 0.66

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
SCHEMBL6889100 1.00 RXRA (1.00) RXRARXRGRXRBRARARARB
SCHEMBL14437920 1.00 RXRA (1.00) RXRARXRGRXRBRARARARB
SCHEMBL5540507 0.88 RXRA (0.79) RXRARXRGRXRBRARARARB
SCHEMBL6888442 0.85 RXRA (0.74) RXRARXRGRXRBRARARARB
SCHEMBL13752412 0.85 RXRA (1.00) RXRARXRGRXRBRARARARB
SCHEMBL2685542 0.85 RXRA (1.00) RXRARXRGRXRBRARARARB
SCHEMBL6888698 0.85 RXRA (1.00) RXRARXRGRXRBRARARARB
SCHEMBL7874373 0.85 RXRA (0.73) RXRARXRGRXRBRARARARB
SCHEMBL6892115 0.85 RXRA (0.73) RXRARXRGRXRBRARARARB
SCHEMBL728007 0.84 RXRA (0.73) RXRARXRGRXRBRARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6320074-B1 IN VIVO MODULATION OF LIPID METABOLISM, SKIN-RELATED PROCESSES, AUTOIMMUNE DISEASES, FATTY ACID METABOLISM, MALIGNANT CELL DEVELOPMENT, PREMALIGNANT LESIONS, OR PROGRAMMED CELL DEATH LIGAND PHARMACEUTICALS INCORPORATED 2001-11-20 US claimed
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 US disclosed
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS LANDRETH GARY E (US) 2012-05-10 US disclosed
US-20060106072-A1 Compounds having selective activity for Retinoid X Receptors, and means for modulation of processes mediated by Retinoid X Receptors EISAI INC. 2006-05-18 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 (3 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-20060106072-A1 Compounds having selective activity for Retinoid X Receptors, and means for modulation of processes mediated by Retinoid X Receptors RXRB, RXRA, RXRG RXRA 2/4885RXRG 3/4885RXRB 1/4885
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885RXRG 3/4885RXRB 2/4885
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885RXRG 3/4885RXRB 2/4885

“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.