SCHEMBL3263389

SCHEMBL3263389

C=CCc1ccc2c(c1)SCCC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 1/20 0.37
XDH P47989 1/20 0.37
CYP3A4 P08684 4/20 0.36
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.36
RARA P10276 7/20 0.36
RARB P10826 7/20 0.36
RARG P13631 7/20 0.36
RXRA P19793 4/20 0.36
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6670538 0.81 RARA (0.37) CYP3A4CYP1A2RARARARBRARG
SCHEMBL6604023 0.81 RARA (0.32) ALDH1A1CYP3A4RARARARBRARG
SCHEMBL6668119 0.79 CYP26A1 (0.35) CYP3A4RARARARBRARGRXRA
SCHEMBL11648365 0.78 RARA (0.51) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL6664705 0.78 SKP2 (0.41) CYP3A4RARARARBRARGRXRA
SCHEMBL6017426 0.75 RARA (0.47) CYP3A4RARARARBRARGRXRA
SCHEMBL6665874 0.74 SKP2 (0.39) ALDH1A1PPARACYP3A4KDM4EPTGS1
SCHEMBL10389584 0.73 XDH (0.42) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL6668874 0.73 EPHX2 (0.39) ALDH1A1CYP3A4CYP1A2RARARARB
SCHEMBL28963421 0.72 ALDH1A1 (0.41) ALDH1A1PPARGPPARDPPARAXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 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
US-6610883-B1 Such as 3-methyl-5-(2-(2-(2,6,6-trimethylcyclohexen-1-yl)-ethenyl)phenyl)-2,4 -pentadienoic acid LIGAND PHARMACEUTICALS, INC. 2003-08-26 US disclosed
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 disclosed
EP-0637297-B1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARM INC (US) 2000-08-23 EP disclosed
US-6043279-A COMPOUNDS USED FOR IN VIVO MODULATION OF LIPID METABOLISM, SKIN-RELATED PROCESSES, MALIGNANT CELL DEVELOPMENT, PREMALIGNANT LESIONS, PROGRAMMED CELL DEATH LIGAND PHARMACEUTICALS, INCORPORATED (US) 2000-03-28 US disclosed
EP-0983991-A2 Compounds having selectivity for retinoid x receptors LIGAND PHARMACEUTICALS, INC. (US) 2000-03-08 EP disclosed
EP-0678086-B1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARM INC (US) 1999-12-08 EP disclosed
US-5962731-A MODIFY LIPID METABOLISM; SKIN DISORDERS,; AUTOIMMUNE DISEASES; FATTY ACID METABOLISM; ANTITUMOR AGENTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-10-05 US disclosed
EP-0678087-B1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARM INC (US) 1999-03-17 EP disclosed
US-5780676-A BICYCLIC BENZYL, PYRIDINYL, THIOPHENE, FURANYL, PYRROLE, AND POLYENOIC ACID DERIVATIVES LIGAND PHARMACEUTICALS INCORPORATED (US) 1998-07-14 US disclosed
EP-0678087-A1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-10-25 EP disclosed
EP-0678086-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-10-25 EP disclosed
EP-0637297-A4 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS. LIGAND PHARM INC (US) 1995-09-20 EP disclosed
WO-1995004036-A1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1995-02-09 WO disclosed
WO-1994015902-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 WO disclosed
WO-1994015901-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 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-20060106072-A1 Compounds having selective activity for Retinoid X Receptors, and means for modulation of processes mediated by Retinoid X Receptors RXRB, RXRA, RXRG ALDH1A1 1049/4885PPARG 9/4885PPARD 26/4885

“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.