SCHEMBL5364822

SCHEMBL5364822

CCCOc1cc2c(cc1Br)C(C)(C)CCC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.48
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
HNF4A P41235 4/20 0.39
PPARG P37231 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTPN1 P18031 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6479338 0.90 RXRA (0.47) RXRARARARARBRARGRXRB
SCHEMBL6874366 0.89 RXRA (0.49) RXRARARARARBRARGRXRB
SCHEMBL8005483 0.86 RXRA (0.50) RXRARARARARBRARGRXRB
SCHEMBL6560607 0.83 RXRA (0.38) RXRARARARARBRARGRXRB
SCHEMBL6033311 0.81 RARA (0.46) RXRARARARARBRARGRXRB
SCHEMBL6281171 0.81 RXRA (0.43) RXRARARARARBRARGRXRB
SCHEMBL8037984 0.80 RXRA (0.36) RXRARARARARBRARGRXRB
SCHEMBL5846268 0.80 RXRA (0.36) RXRARARARARBRARGHNF4A
SCHEMBL16316083 0.79 RXRA (0.47) RXRARARARARBRARGRXRB
SCHEMBL6476127 0.79 RXRA (0.47) RXRARARARARBRARGRXRB

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099991-A1 SELECTIVE RXR LIGANDS HAFFNER CURT D 2007-05-03 US disclosed
US-7173134-B2 Selective RXR ligands SMITHKLINE BEECHAM CORPORATION (US) 2007-02-06 US disclosed
US-6992094-B1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-31 US disclosed
US-20060014803-A1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-19 US disclosed
US-6921777-B2 Heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-26 US disclosed
US-6825360-B1 Bicyclic aromatic compounds GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-11-30 US disclosed
US-20040198980-A1 Selective rxr ligands SMITHKLINE BEECHAM CORPORATION 2004-10-07 US disclosed
EP-1086080-B1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2004-08-25 EP disclosed
US-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 US disclosed
US-6610877-B1 Treating photo and/or age damaged skin HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
US-6147255-A TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL COMPLAINTS ASSOCIATED WITH KERATINIZATION DISORDER WHICH HAS EFFECT ON DIFFERENTIATION AND ON PROLIFERATION CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-11-14 US disclosed
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP disclosed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO disclosed
EP-0641759-B1 Use of aromatic carboxylic derivatives for the preparation of drugs HOFFMANN LA ROCHE (CH) 1998-12-09 EP disclosed
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
EP-0832081-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-04-01 EP disclosed
US-5700836-A TOPICALLY ADMINISTERING TO TREAT PHOTODAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1997-12-23 US disclosed
WO-1997033881-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 WO disclosed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 WO disclosed
EP-0641759-A1 Aromatic carboxylic acid derivatives, their preparation and drugs containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP 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 (4 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA RXRA 3/4885RARA 28/4885RARB 27/4885
US-20040198980-A1 Selective rxr ligands RXRA, RXRB, RXRG RXRA 1/4885RARA 18/4885RARB 19/4885
US-20060014803-A1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics TYR, DERL1, GPX1 RXRA 1865/4885RARA 2083/4885RARB 2125/4885
US-20070099991-A1 SELECTIVE RXR LIGANDS RXRB, RXRA, RXRG RXRA 2/4885RARA 17/4885RARB 14/4885

“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.