SCHEMBL6874366

SCHEMBL6874366

CCCCCCCOc1cc2c(cc1Br)C(C)(C)CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.49
PPARG P37231 1/20 0.49
NR1H3 Q13133 1/20 0.49
HNF4A P41235 3/20 0.45
PTPN1 P18031 1/20 0.40
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37

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 0.98 RXRA (0.47) RXRAPPARGNR1H3HNF4APTPN1
SCHEMBL5364822 0.89 RXRA (0.48) RXRAPPARGNR1H3HNF4APTPN1
SCHEMBL6033311 0.87 RARA (0.46) RXRAPPARGNR1H3HNF4ARARA
SCHEMBL6560607 0.85 RXRA (0.38) RXRAPPARGNR1H3HNF4APTPN1
SCHEMBL8005483 0.82 RXRA (0.50) RXRAHNF4ARARARARBRARG
SCHEMBL6033082 0.82 RXRA (0.43) RXRAPPARGNR1H3HNF4ARARA
SCHEMBL7212199 0.81 THRA (0.38) RXRAPPARGNR1H3HNF4APTPN1
SCHEMBL339836 0.80 THRA (0.49) THRATHRBS1PR2S1PR1S1PR3
SCHEMBL197292 0.80 THRA (0.49) THRATHRBS1PR2S1PR1S1PR3
SCHEMBL2053781 0.80 THRA (0.49) THRATHRBS1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825360-B1 Bicyclic aromatic compounds GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-11-30 US disclosed
US-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 US disclosed
EP-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 EP disclosed
US-20030135053-A1 For use in human or veterinary conditions, that may be dermatological, rheumatic, respiratory, or cardiovascular and may be used in cosmetics BERNARDON JEAN-MICHEL 2003-07-17 US disclosed
US-6545049-B1 E.g., (2E, 4E, 6E)-7-(3,5-diisopropyl-2-n-heptyloxyphenyl)-3-methylocta-2,4,6-trienoic acid, esters or amides thereof LIGAND PHARMACEUTICALS INCORPORATED 2003-04-08 US disclosed
US-20030060491-A1 Bicyclic aromatic compounds BERNARDON JEAN-MICHEL (FR) 2003-03-27 US disclosed
US-6515021-B1 Bicyclic aromatic compounds CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2003-02-04 US disclosed
EP-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP 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-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
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

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-20030060491-A1 Bicyclic aromatic compounds MITF, TYR, PAH RXRA 196/4885PPARG 20/4885NR1H3 632/4885
US-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA RXRA 3/4885PPARG 15/4885NR1H3 18/4885
US-20030135053-A1 For use in human or veterinary conditions, that may be dermatological, rheumatic, respiratory, or cardiovascular and may be used in cosmetics MITF, TYR, PAH RXRA 55/4885PPARG 24/4885NR1H3 562/4885

“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.